data_1b8w_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1b8w _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.871 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.491 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.968 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 49.8 t -114.64 -43.22 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -28.06 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.186 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.472 ' N ' HD12 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -74.49 -0.07 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.889 HD13 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -123.1 2.01 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.026 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.74 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 5.3 t-20 80.42 37.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.677 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.73 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.76 -170.69 14.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.515 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.831 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 8.3 p -121.25 161.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.661 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -115.32 100.96 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.759 ' HG2' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -112.42 -161.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.602 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.83 138.05 31.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.824 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.65 -2.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.539 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -127.18 22.73 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.759 HG22 ' HG2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -44.52 -105.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.748 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.29 -65.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.505 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.748 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.26 23.52 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.032 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.642 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -91.35 62.39 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.804 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.929 ' HB3' ' HE ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -10.77 128.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.958 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.851 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -99.55 149.44 23.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.775 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.934 HD11 ' SG ' ' A' ' 39' ' ' CYS . 48.1 mt -99.97 94.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.305 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 21.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.721 ' H ' ' C ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -130.53 -35.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.423 -179.008 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.968 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . . . -99.03 137.59 37.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.966 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.721 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -101.31 172.19 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.595 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -99.62 -147.56 0.34 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.38 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CD1' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -149.23 -9.74 0.32 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.231 -179.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.621 ' O ' ' HB3' ' A' ' 35' ' ' ASP . 28.9 m-80 -89.9 -21.17 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.221 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.621 ' HB3' ' O ' ' A' ' 34' ' ' ASN . 10.2 t70 88.78 -25.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.563 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.76 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -111.1 -5.58 26.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.29 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.749 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 2.5 mt-30 -105.98 162.12 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.928 0.394 . . . . 0.0 110.826 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.851 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -127.39 179.2 5.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.934 ' SG ' HD11 ' A' ' 27' ' ' ILE . 7.7 t -89.32 148.86 23.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.831 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 39.6 t -139.91 149.8 43.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.929 ' HE ' ' HB3' ' A' ' 25' ' ' ARG . 6.7 mtm180 -70.98 58.52 0.22 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.779 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.73 ' HE3' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.673 ' OD2' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.882 0.373 . . . . 0.0 111.16 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.887 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.0 t -95.06 -48.89 5.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -32.47 70.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -70.15 -21.32 63.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.854 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.887 HG13 ' O ' ' A' ' 9' ' ' CYS . 6.2 pt -99.71 -2.08 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.744 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 49.7 t30 80.37 42.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.65 -168.97 14.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.835 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.9 p -121.54 154.1 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.633 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -110.74 97.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -111.36 -155.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.738 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 139.61 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.881 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.31 -0.58 1.31 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.59 ' O ' ' O ' ' A' ' 21' ' ' THR . 5.5 t0 -129.2 23.59 5.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.59 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.55 -107.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.838 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.11 -65.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.764 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.838 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -128.07 26.66 5.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.059 -179.063 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 25' ' ' ARG . 3.8 t -100.61 67.07 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.867 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 27.7 mtt85 -16.6 136.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.911 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 2.9 tt0 -105.17 148.41 26.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.964 HG23 ' HB1' ' A' ' 30' ' ' ALA . 8.1 mt -103.41 84.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -40.07 -73.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.065 0.46 . . . . 0.0 110.816 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.3 mt -23.44 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.614 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.964 ' HB1' HG23 ' A' ' 27' ' ' ILE . . . -99.33 166.54 11.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -126.6 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.55 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.8 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.06 -153.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.111 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.674 ' HD1' ' O ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -144.74 -5.31 0.73 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 110.384 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.692 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 19.9 m-80 -88.92 -107.94 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.809 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.82 -34.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.247 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.412 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -124.81 15.8 7.43 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.793 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.8 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.4 mt-30 -109.63 145.44 36.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 111.089 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.911 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -122.81 -177.65 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.888 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 13.2 t -89.67 147.54 23.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.149 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.867 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 13.3 t -140.57 152.73 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.498 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.58 54.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.849 0.357 . . . . 0.0 110.729 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.74 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.704 ' OD2' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 120.755 0.312 . . . . 0.0 111.058 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.877 ' O ' HG13 ' A' ' 12' ' ' ILE . 53.5 t -69.53 -47.21 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -31.93 73.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.704 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 32.5 t -73.83 -13.4 60.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.796 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.934 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -103.43 1.91 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.997 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.732 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 5.8 t30 79.36 33.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.715 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.59 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.46 -176.02 16.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.783 ' HB ' ' CE ' ' A' ' 42' ' ' LYS . 11.3 p -112.78 164.18 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.547 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.6 98.17 6.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.794 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.34 -158.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.57 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.22 139.97 30.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.819 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 3.9 ptmt -73.78 6.96 2.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.1 t70 -133.73 21.21 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.508 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.51 -111.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.755 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.38 -63.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 0.0 111.63 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.755 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -125.3 35.68 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.929 -179.293 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.649 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 37.8 t -108.24 77.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.796 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.853 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -22.96 123.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.202 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.885 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.29 144.62 29.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.826 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.993 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 20.6 mt -101.42 81.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -41.01 -67.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 110.791 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt -29.71 -48.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.68 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.7 ' HB3' HG12 ' A' ' 12' ' ' ILE . . . -99.05 149.03 23.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -107.7 179.62 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.863 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.15 -147.3 0.33 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.037 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.487 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -146.56 -9.7 0.48 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.251 0.548 . . . . 0.0 110.534 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.572 ' HB2' ' HG3' ' A' ' 37' ' ' GLN . 27.9 m-80 -89.53 -19.3 25.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.821 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.5 t0 87.57 -27.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.345 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.75 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -110.8 -6.32 26.66 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.938 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.863 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.7 mt-30 -107.77 152.36 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.623 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.819 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.3 -177.47 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.993 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 4.2 t -89.15 151.65 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.853 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 1.1 m -140.4 148.73 41.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.501 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.735 ' CD ' ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.42 54.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.758 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.783 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.62 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.86 0.362 . . . . 0.0 111.068 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.9 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.9 t -81.45 -53.08 6.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -26.86 68.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.62 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 40.1 t -69.08 -22.77 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.9 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.3 pt -99.78 0.3 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.852 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.711 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 27.9 t30 81.19 42.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.742 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.57 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -117.21 -173.41 16.53 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.277 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.913 HG11 ' HB3' ' A' ' 40' ' ' CYS . 5.7 p -117.73 163.64 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.861 ' H ' HG21 ' A' ' 15' ' ' VAL . 47.0 t -119.88 103.11 9.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.962 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 5.7 mtt-85 -113.49 -157.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.599 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.09 135.13 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.957 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.1 -2.84 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.384 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.37 25.58 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.433 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.599 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -44.92 -108.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.742 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.22 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 111.561 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.742 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.87 27.6 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.097 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.962 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 4.3 t -100.77 68.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.726 ' HB3' ' CZ ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -19.27 129.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 1.019 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 5.3 tt0 -100.55 153.7 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.962 HG21 ' H ' ' A' ' 30' ' ' ALA . 38.6 mt -99.67 87.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.13 13.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.616 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.751 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.6 mt -117.61 -43.71 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.843 0.354 . . . . 0.0 111.412 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.962 ' H ' HG21 ' A' ' 27' ' ' ILE . . . -99.85 145.16 28.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.744 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -99.41 -179.01 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.896 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.06 -138.72 0.31 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.917 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.474 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -160.4 -8.28 0.05 Allowed 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.197 0.522 . . . . 0.0 110.37 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.769 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 21.3 m-80 -89.92 -20.03 23.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.895 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.769 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.6 m-20 89.64 -24.75 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.63 -0.16 21.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.801 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt-30 -115.58 158.68 22.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.781 0.325 . . . . 0.0 110.976 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 1.019 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -121.44 -179.68 4.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.775 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 6.5 t -90.01 148.2 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.307 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.913 ' HB3' HG11 ' A' ' 15' ' ' VAL . 49.9 t -137.04 152.98 50.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.353 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.726 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.3 mtm180 -72.59 52.18 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 0.0 110.704 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.896 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.636 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.101 0.477 . . . . 0.0 110.786 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.878 ' O ' HG13 ' A' ' 12' ' ' ILE . 31.8 t -98.88 -43.06 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.007 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -20.09 62.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.878 HG13 ' O ' ' A' ' 9' ' ' CYS . 5.9 pt -99.91 -1.38 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.066 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.617 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 9.7 t30 80.53 36.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.619 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.744 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -116.03 -159.2 11.81 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.385 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.948 HG12 ' HB3' ' A' ' 40' ' ' CYS . 7.5 p -127.45 164.22 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 111.188 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.767 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -124.12 104.63 8.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.911 ' NH2' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -113.61 -152.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.489 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.49 146.05 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.95 0.405 . . . . 0.0 110.814 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.88 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.07 -4.51 13.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.703 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -126.49 26.12 6.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.748 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.597 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.68 -108.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.939 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.89 -64.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.49 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.939 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -130.46 33.42 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.977 -179.267 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.646 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.3 t -107.11 65.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 1.096 ' HB3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.09 131.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.761 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.901 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -99.96 156.05 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.141 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.966 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 mt -111.46 83.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.24 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.207 0.527 . . . . 0.0 110.9 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -26.34 -44.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.88 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.795 ' HB1' ' CG2' ' A' ' 27' ' ' ILE . . . -98.82 162.21 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.487 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.6 m-20 -125.47 179.34 5.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.033 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.682 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.01 -156.98 0.57 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.143 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.545 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -139.01 -6.46 1.43 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -179.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 20.2 m-80 -88.9 -118.51 0.05 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.774 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -150.17 -31.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.62 179.684 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.714 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -125.87 14.52 7.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.984 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.682 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 2.0 mt-30 -109.0 142.76 39.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.88 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.97 -173.46 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.679 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.966 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 21.5 t -91.3 148.93 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.24 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.948 ' HB3' HG12 ' A' ' 15' ' ' VAL . 42.6 t -140.59 152.33 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.54 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 1.096 ' HD2' ' HB3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -72.7 52.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.728 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.809 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.736 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.908 ' O ' HG13 ' A' ' 12' ' ' ILE . 51.9 t -96.07 -45.12 7.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.724 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -30.39 71.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.9 t -69.47 -16.71 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.908 HG13 ' O ' ' A' ' 9' ' ' CYS . 4.3 pt -106.29 0.63 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.48 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER 80.95 41.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.669 -179.594 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.801 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -122.88 -164.16 12.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.443 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.878 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -125.55 165.76 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.712 ' H ' HG21 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -114.86 100.31 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.867 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.71 -163.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.772 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.577 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.24 141.81 28.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.914 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.842 ' HG2' ' O ' ' A' ' 36' ' ' GLY . 14.9 pttt -74.84 4.02 7.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.23 24.34 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -56.11 -107.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.74 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -173.09 -63.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.498 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.74 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.08 27.8 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.685 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -92.7 84.97 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.887 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -30.89 121.92 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.908 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -99.77 148.07 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 1.019 HG23 ' HB1' ' A' ' 30' ' ' ALA . 11.1 mt -105.6 81.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.491 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.34 -70.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.227 0.537 . . . . 0.0 110.691 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 28' ' ' PHE . 3.9 mt -26.34 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.695 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.019 ' HB1' HG23 ' A' ' 27' ' ' ILE . . . -98.62 161.82 13.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.711 ' O ' ' N ' ' A' ' 9' ' ' CYS . 24.6 m-20 -118.67 175.03 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.982 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.616 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -99.15 -146.89 0.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.258 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.667 ' CG ' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -147.29 -8.27 0.45 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.183 0.516 . . . . 0.0 110.684 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.696 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.2 m-80 -89.12 -18.36 27.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.822 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.696 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.5 m-20 83.87 -22.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.842 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -115.5 -5.26 19.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.052 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.867 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 5.2 mt-30 -107.99 161.47 14.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.776 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.53 -178.8 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.685 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.908 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 24.7 t -89.62 153.54 20.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.887 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 1.6 t -140.12 151.44 45.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.554 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -70.39 61.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.792 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.838 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.966 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.813 ' HB3' ' HE1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.894 ' O ' HG13 ' A' ' 12' ' ' ILE . 42.5 t -85.44 -50.17 7.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -30.65 70.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.781 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 22.8 t -68.73 -23.19 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.962 HD12 ' HB1' ' A' ' 30' ' ' ALA . 5.1 pt -99.93 0.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.759 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 4.2 t30 81.12 50.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.801 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.795 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -131.07 -176.84 14.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.298 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.796 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -115.03 164.16 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 111.308 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -116.91 99.84 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.672 ' NH1' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -107.57 -156.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.44 135.29 33.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.891 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -63.03 -0.51 0.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.408 179.648 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.549 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t70 -128.79 26.17 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.627 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -48.57 -112.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.81 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.757 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.99 -64.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.46 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.757 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -127.68 28.92 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.877 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.62 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -102.68 67.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.763 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.845 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -16.82 131.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.883 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -102.69 151.38 22.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.893 HG23 ' HB1' ' A' ' 30' ' ' ALA . 10.0 mt -106.86 82.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -39.11 -71.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.168 0.509 . . . . 0.0 110.774 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' C ' ' O ' ' A' ' 28' ' ' PHE . 2.5 mt -23.27 -49.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.962 ' HB1' HD12 ' A' ' 12' ' ' ILE . . . -99.09 160.64 14.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.694 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -119.27 -176.58 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.704 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.765 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -99.22 -150.8 0.38 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.204 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.813 ' HE1' ' HB3' ' A' ' 8' ' ' ASP . 2.5 m-85 -146.15 -6.98 0.55 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.337 0.589 . . . . 0.0 110.418 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 21.8 m-80 -89.25 -114.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.772 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 37.6 t70 -152.9 -32.53 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.412 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -125.2 13.02 7.53 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.865 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.765 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 1.7 mm100 -106.84 143.53 34.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 111.051 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.891 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -124.01 -173.72 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.605 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.89 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 11.7 t -89.67 148.49 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.845 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 53.9 t -140.52 155.49 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.601 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 2.8 mtm180 -73.05 46.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.419 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.795 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.898 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 120.821 0.344 . . . . 0.0 111.106 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.885 ' O ' HG12 ' A' ' 12' ' ' ILE . 36.1 t -112.47 -48.51 3.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.835 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.38 -27.27 63.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.416 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.537 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -74.4 0.5 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 110.633 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.946 HG13 ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -122.68 5.02 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.617 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 51.3 t30 80.82 38.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.715 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' CD ' ' A' ' 42' ' ' LYS . . . -123.43 173.0 16.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.298 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.901 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.6 p -105.37 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.756 0.312 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -119.94 101.81 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.725 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -113.0 -152.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.761 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -88.47 142.71 27.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 -179.767 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.848 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.93 0.91 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.566 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -129.9 28.58 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.692 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.455 ' H ' ' HG1' ' A' ' 21' ' ' THR . 0.2 OUTLIER -53.91 -110.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.743 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.19 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.429 . . . . 0.0 111.606 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.743 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -127.38 28.81 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -98.6 74.26 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.816 ' HD3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -26.38 127.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.916 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.68 154.17 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.896 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 40.2 mt -99.83 95.72 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.642 ' CD2' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.0 19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.815 ' H ' HG21 ' A' ' 27' ' ' ILE . 2.1 mt -126.32 -38.52 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 111.351 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.946 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -99.05 134.11 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' CYS . 2.9 m-20 -101.98 173.15 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.863 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -99.37 -158.72 0.69 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.197 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -139.55 -7.28 1.3 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.413 0.625 . . . . 0.0 110.299 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.79 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.7 m-80 -89.38 -19.27 25.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.822 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.79 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER 88.01 -21.46 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.509 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.799 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -118.21 -2.47 15.77 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.254 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.863 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 4.0 mt-30 -106.15 148.96 27.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.728 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.848 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -119.02 178.22 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.916 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 1.8 t -89.62 148.35 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.499 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.901 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 12.0 t -140.29 143.75 36.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.816 ' HD2' ' HD3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -61.82 70.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.727 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.12 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.871 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.025 0.44 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.876 ' O ' HG13 ' A' ' 12' ' ' ILE . 50.4 t -101.42 -43.17 6.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.737 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -30.35 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.332 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 m -74.21 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.876 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -109.84 0.85 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.035 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 3.4 t-20 80.16 36.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.766 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.793 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.36 -175.15 15.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.395 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.895 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 7.7 p -111.52 164.86 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.792 ' H ' HG21 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -126.43 105.97 9.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.221 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.765 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -118.08 -155.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.782 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.531 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -90.16 146.21 24.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.859 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -72.43 15.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.743 179.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.589 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.25 18.96 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -41.63 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.579 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.783 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.96 -64.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.783 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.83 35.7 4.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.08 -179.239 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.8 t -110.47 74.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.799 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -24.03 131.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.889 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.03 150.36 22.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.981 HG23 ' H ' ' A' ' 30' ' ' ALA . 36.8 mt -100.07 93.72 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.76 24.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.403 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.697 ' H ' ' C ' ' A' ' 27' ' ' ILE . 7.3 mt -130.28 -37.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 111.248 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.981 ' H ' HG23 ' A' ' 27' ' ' ILE . . . -99.34 141.15 32.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 m-20 -103.27 170.66 7.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 1.2 m -98.97 -148.18 0.34 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.107 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.505 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -144.21 -10.22 0.66 Allowed 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.236 0.541 . . . . 0.0 110.727 -179.649 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.775 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 23.6 m-80 -89.44 -19.81 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 11.3 t0 86.43 -20.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.613 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.78 ' C ' ' HD3' ' A' ' 19' ' ' LYS . . . -115.92 -3.78 19.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.371 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.775 ' NE2' ' ND2' ' A' ' 34' ' ' ASN . 39.1 mt-30 -107.03 146.82 30.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.361 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.859 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.0 174.64 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.889 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.0 t -89.73 151.14 21.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.895 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 49.2 t -140.09 149.41 43.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.484 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.523 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -71.08 58.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.779 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.883 ' CD ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 120.86 0.362 . . . . 0.0 111.076 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.887 ' O ' HG13 ' A' ' 12' ' ' ILE . 46.2 t -72.15 -49.1 38.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.08 -33.67 73.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.274 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.46 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 6.0 t -65.38 -22.73 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.182 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.887 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.0 pt -99.94 1.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 0.0 111.283 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.678 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 10.0 t30 81.27 41.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.716 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.702 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -122.56 175.76 16.47 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.165 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.56 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 13.2 p -109.42 166.49 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.238 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.803 ' SG ' ' HB2' ' A' ' 37' ' ' GLN . 50.1 t -118.06 101.26 8.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.84 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -112.85 -157.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.525 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -88.76 134.97 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.799 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.822 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -68.99 10.45 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -139.89 25.99 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.564 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.506 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -49.22 -104.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.643 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.944 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.53 -64.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.944 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -127.01 21.96 6.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.774 -179.323 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.475 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 18.1 t -94.35 94.56 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.761 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 1.105 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 10.8 mtt85 -41.9 128.87 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.877 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 10.5 tt0 -99.92 150.75 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.896 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 12.1 mt -107.97 83.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -42.19 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 110.566 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.2 mt -29.22 -47.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.731 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . . . -99.33 146.38 26.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.082 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 1.1 m-20 -108.97 -175.27 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.796 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.05 -141.88 0.32 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.921 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.538 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -161.33 -5.29 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.359 0.599 . . . . 0.0 110.304 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.834 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 19.0 m-80 -89.63 -19.29 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.834 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 1.1 m-20 89.71 -19.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.64 2.47 9.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.84 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 14.2 mt-30 -118.04 159.44 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.822 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -123.22 -172.47 2.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.896 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 6.2 t -89.59 148.02 23.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.751 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -137.43 150.64 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.443 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 1.105 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.8 45.67 0.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.612 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.702 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.623 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.827 0.346 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.873 ' O ' HG13 ' A' ' 12' ' ' ILE . 30.0 t -66.97 -50.7 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -30.71 71.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.623 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -72.33 -11.01 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.389 . . . . 0.0 110.9 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.873 HG13 ' O ' ' A' ' 9' ' ' CYS . 1.1 pp -108.77 3.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.543 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 60.4 t30 80.91 37.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.991 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.874 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -120.99 170.74 14.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.098 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.963 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 7.6 p -103.18 158.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.614 ' H ' HG21 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -113.32 97.57 6.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 111.281 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.857 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 5.3 tpp180 -105.19 -172.64 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.369 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.857 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -78.64 129.64 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 110.684 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 1.038 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -57.63 7.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.725 ' H ' ' C ' ' A' ' 18' ' ' HIS . 1.1 t0 -138.24 21.62 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.331 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.687 ' HG1' ' HG3' ' A' ' 17' ' ' ARG . 1.7 m -43.78 -109.45 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.881 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.23 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.693 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.881 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -128.05 36.52 4.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.065 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.625 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.0 t -110.94 69.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.794 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -16.66 131.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.923 ' HB2' ' HD3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -102.96 155.35 18.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.939 HG21 ' H ' ' A' ' 30' ' ' ALA . 50.2 mt -102.03 87.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.64 14.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.591 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.745 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -118.14 -43.28 2.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.939 ' H ' HG21 ' A' ' 27' ' ' ILE . . . -99.45 138.84 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -97.08 173.37 7.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.796 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.31 -145.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.688 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.463 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.4 OUTLIER -147.94 -9.84 0.39 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.186 0.517 . . . . 0.0 110.803 -179.404 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 21.0 m-80 -89.18 -18.15 27.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.057 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.8 t0 82.35 -21.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.348 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 19' ' ' LYS . . . -113.13 -8.2 20.2 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.984 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.853 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 4.9 mt-30 -111.61 146.8 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 1.038 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.73 -177.31 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.886 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.4 t -89.78 149.97 22.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.756 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.917 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 49.0 t -136.82 151.58 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.624 ' O ' ' O ' ' A' ' 42' ' ' LYS . 1.4 mtm180 -69.87 61.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.963 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.776 ' OD2' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 120.794 0.331 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.873 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.7 t -65.87 -48.27 72.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.22 -32.46 71.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.058 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.776 ' HB3' ' OD2' ' A' ' 8' ' ' ASP . 91.9 p -68.52 -22.48 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.888 ' CD1' HG22 ' A' ' 27' ' ' ILE . 4.6 pt -99.68 -1.72 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.462 HD21 ' HA ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER 81.14 44.75 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.154 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.654 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.55 -163.78 12.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.199 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.881 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.3 p -125.64 161.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 111.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.667 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -121.53 103.0 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.102 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.943 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 7.1 tpp85 -111.51 -151.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.943 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 136.58 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.927 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -60.48 2.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.549 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' A' ' 21' ' ' THR . 2.4 t0 -134.3 24.34 3.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.461 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.689 HG21 ' HG2' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -40.31 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.551 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.881 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.43 -65.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.491 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.881 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -132.1 29.79 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.909 -179.347 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.644 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.3 t -100.54 69.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 1.023 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.65 130.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.875 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -100.2 144.73 28.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.065 -179.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 1.013 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 mt -102.63 86.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.487 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.32 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.155 0.502 . . . . 0.0 110.875 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -26.41 -44.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.941 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.612 ' CB ' HD12 ' A' ' 12' ' ' ILE . . . -98.96 153.92 18.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.945 0.403 . . . . 0.0 111.53 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.99 -179.17 3.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.635 ' SG ' ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.44 -145.42 0.33 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.172 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.494 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 m-85 -151.55 -9.13 0.22 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.357 0.599 . . . . 0.0 110.378 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.611 ' ND2' HE21 ' A' ' 37' ' ' GLN . 29.1 m-80 -89.74 -131.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.791 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.415 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 m-20 -138.64 -18.35 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.29 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.75 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -135.57 13.83 4.23 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.984 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.784 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 1.7 mt-30 -109.56 145.72 35.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.927 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -128.95 -175.61 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.687 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.013 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 24.8 t -89.82 147.31 23.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.026 0.441 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 18.6 t -140.59 155.61 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 1.023 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -74.11 49.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 110.715 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.877 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.876 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 110.641 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.869 ' O ' HG12 ' A' ' 12' ' ' ILE . 53.2 t -116.43 -43.7 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.835 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -27.29 64.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.445 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.466 ' N ' HD12 ' A' ' 12' ' ' ILE . 40.2 t -73.74 -0.93 17.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.04 0.448 . . . . 0.0 110.407 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.896 HG13 ' CB ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -124.46 2.04 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.871 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 0.4 OUTLIER 80.86 46.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.87 ' CA ' ' HE2' ' A' ' 42' ' ' LYS . . . -129.14 -175.23 13.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.247 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.894 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.8 p -115.44 158.94 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.98 92.54 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.858 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 3.5 mmt180 -103.88 -154.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.472 ' H ' ' HB3' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.27 154.8 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.009 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 1.008 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -83.25 -0.98 51.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.188 179.37 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -131.05 28.36 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.274 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.499 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -51.71 -113.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.831 -179.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.754 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.538 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.754 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -127.67 34.57 4.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.884 -179.332 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.0 t -108.61 68.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.886 ' HB2' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -13.68 132.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.753 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.64 151.86 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.795 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.834 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 9.9 mt -114.65 85.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -43.92 -68.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 110.533 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -33.95 -43.6 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.421 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.896 ' CB ' HG13 ' A' ' 12' ' ' ILE . . . -99.03 149.67 22.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.236 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.672 ' O ' ' N ' ' A' ' 9' ' ' CYS . 5.7 m-20 -117.34 -177.59 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.809 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -99.09 -164.48 1.13 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.865 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.679 ' CD2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -137.26 -5.07 1.85 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.574 0.702 . . . . 0.0 109.945 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.599 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 37.3 m-80 -89.65 -23.41 21.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.8 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 18.7 t0 92.69 -28.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.714 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.782 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -114.04 -1.25 23.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.392 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.858 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 13.4 mt-30 -109.76 160.43 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 1.008 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.5 179.91 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.834 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 10.7 t -89.83 148.86 22.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.894 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -140.17 151.28 45.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.886 ' HG3' ' HB2' ' A' ' 25' ' ' ARG . 84.7 mtt180 -71.71 61.25 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.871 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 1.6 mptp? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.893 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.803 0.335 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.029 ' HA ' ' HB2' ' A' ' 30' ' ' ALA . 9.0 t -109.68 -49.51 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -27.79 65.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.658 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.842 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 20.1 m -74.67 1.02 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.659 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.017 HG13 ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -123.61 4.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER 80.77 41.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.948 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.732 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -121.86 167.32 14.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.21 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.907 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 11.7 p -103.9 154.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.688 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -106.26 83.5 1.9 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.754 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -101.4 -160.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.741 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.482 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.23 140.65 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.923 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -70.3 7.53 1.0 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -134.74 21.89 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -47.79 -109.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.727 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.823 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.32 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.46 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.823 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.14 36.17 4.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.834 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.619 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.6 t -104.62 70.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.763 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.835 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -17.13 125.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.781 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.837 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.0 154.37 18.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.925 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 23.5 mt -104.18 87.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.71 18.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.244 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.731 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -120.8 -40.27 2.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.008 0.432 . . . . 0.0 111.471 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 1.029 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . . . -99.02 149.45 22.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.27 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 9' ' ' CYS . 41.0 m-20 -105.95 170.01 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.707 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.14 -149.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.361 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.43 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 m-85 -143.96 -9.31 0.7 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.244 0.545 . . . . 0.0 110.699 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.759 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 25.0 m-80 -89.05 -19.61 25.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.037 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.759 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 84.18 -19.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.524 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -119.66 -2.55 12.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.225 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.754 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -111.43 149.93 30.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.65 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.923 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.76 178.95 4.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.111 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.925 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -89.78 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.066 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.907 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 6.4 t -140.93 122.74 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.651 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -37.88 80.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.786 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.789 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.899 0.38 . . . . 0.0 111.093 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.898 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.9 t -100.22 -47.8 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -29.21 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.484 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.39 -9.37 58.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.633 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.898 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -109.96 3.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.13 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.777 ' ND2' ' HZ3' ' A' ' 42' ' ' LYS . 0.4 OUTLIER 80.73 36.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.84 ' CA ' ' HE3' ' A' ' 42' ' ' LYS . . . -117.56 -168.35 14.55 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.045 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.904 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 7.4 p -123.21 158.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.329 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.503 ' H ' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -115.14 101.83 9.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.317 -179.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.773 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -114.93 -157.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.637 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.773 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.35 150.45 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 1.005 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.67 -3.51 31.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -126.76 26.02 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.691 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 24' ' ' CYS . 1.5 m -48.14 -111.08 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.811 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -64.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.815 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.811 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.09 19.97 6.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.298 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.618 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.2 t -93.07 59.38 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.717 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.774 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 1.5 ttm180 -11.84 131.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.881 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.35 153.85 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.676 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.817 HG21 ' H ' ' A' ' 29' ' ' LEU . 27.5 mt -100.0 90.6 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.179 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.55 12.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.376 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.817 ' H ' HG21 ' A' ' 27' ' ' ILE . 2.8 mt -115.69 -44.06 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.916 0.389 . . . . 0.0 111.441 -179.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -99.6 161.31 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.146 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.604 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.2 m-20 -123.3 -178.5 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.858 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -99.57 -148.51 0.35 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.382 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 5.0 m-85 -147.36 -9.88 0.43 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 21.9 m-80 -89.58 -19.49 24.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.158 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.7 OUTLIER 87.17 -18.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -116.32 -5.57 16.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.264 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.858 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.8 mt-30 -109.1 149.9 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 1.005 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.22 179.93 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.881 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.7 t -89.74 147.55 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.899 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 44.0 t -140.14 147.69 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -72.06 55.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.904 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.865 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 120.801 0.334 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.91 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.0 t -102.07 -48.28 4.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -32.99 72.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.344 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.481 ' CB ' ' OD2' ' A' ' 8' ' ' ASP . 41.3 t -69.38 -20.43 63.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.116 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.91 HG13 ' O ' ' A' ' 9' ' ' CYS . 4.7 pt -100.16 1.32 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER 81.11 42.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.682 -179.553 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.504 ' HA2' ' HD3' ' A' ' 42' ' ' LYS . . . -124.26 174.03 16.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.343 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.847 HG11 ' HB3' ' A' ' 40' ' ' CYS . 7.4 p -110.17 153.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 111.318 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -104.41 95.2 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 1.077 ' HD2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -110.84 -161.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -87.81 136.36 32.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.842 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.37 2.81 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.791 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 18' ' ' HIS . 1.8 t0 -131.2 23.52 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 1.077 HG22 ' HD2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -46.59 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.768 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.739 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.07 -64.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.808 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.739 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.35 39.49 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.867 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.9 t -110.36 67.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.879 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -16.13 132.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.892 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 tt0 -103.32 145.92 29.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.836 ' O ' HG23 ' A' ' 27' ' ' ILE . 7.7 mt -101.69 82.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.81 -72.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.255 0.55 . . . . 0.0 110.87 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.2 mt -22.49 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.035 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.865 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -98.76 -179.38 4.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.65 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.91 179.28 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.036 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.78 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.32 -145.6 0.33 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.307 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.478 ' HE2' ' HB3' ' A' ' 8' ' ' ASP . 3.1 m-85 -149.7 -8.86 0.31 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.277 0.561 . . . . 0.0 110.519 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.62 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 25.8 m-80 -89.34 -19.44 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.105 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 86.49 -22.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.174 -179.487 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.616 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -115.86 -5.46 17.93 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.02 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.865 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 11.6 mt-30 -109.24 156.39 19.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.749 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.842 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.81 179.9 4.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.892 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 9.9 t -89.18 151.48 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.879 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 34.4 t -139.64 153.58 47.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.372 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.718 ' HD2' ' HG3' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -69.93 36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.047 0.451 . . . . 0.0 110.642 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.594 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.009 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.894 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.939 0.399 . . . . 0.0 110.628 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.862 ' O ' HG12 ' A' ' 12' ' ' ILE . 48.7 t -113.25 -44.17 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.651 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -24.95 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.461 ' N ' HD12 ' A' ' 12' ' ' ILE . 29.1 p -72.94 -3.09 23.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.136 0.493 . . . . 0.0 110.297 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -122.83 -0.23 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.915 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.745 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 45.0 t30 80.52 38.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.642 ' CA ' ' HE2' ' A' ' 42' ' ' LYS . . . -114.78 -169.87 16.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.451 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.869 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 8.0 p -120.78 151.56 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.13 95.33 5.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -113.11 -165.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.492 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -83.4 136.91 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.869 ' HE2' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -62.06 -2.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.615 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -129.14 25.45 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.693 ' CG2' ' H ' ' A' ' 22' ' ' VAL . 2.5 t -46.2 -98.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.74 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.93 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.691 -179.763 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.74 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.7 25.2 4.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 -179.285 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.3 t -96.23 73.04 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.907 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -20.29 135.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.863 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.8 tt0 -100.55 151.77 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.857 ' CG2' ' HB1' ' A' ' 30' ' ' ALA . 33.2 mt -112.05 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.42 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -45.09 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.308 0.575 . . . . 0.0 110.509 179.562 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mp -34.98 -41.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.835 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.857 ' HB1' ' CG2' ' A' ' 27' ' ' ILE . . . -98.34 154.47 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.738 ' O ' ' N ' ' A' ' 9' ' ' CYS . 73.4 m-20 -122.26 174.3 7.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.219 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.855 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.59 -149.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.67 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -145.99 -8.76 0.54 Allowed 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.238 0.542 . . . . 0.0 110.645 -179.467 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 22.7 m-80 -89.35 -19.07 25.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER 86.42 -26.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.869 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -112.22 -4.64 25.45 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.307 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.855 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.1 mt-30 -111.63 146.02 38.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.3 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.842 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -112.95 179.91 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.863 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 7.2 t -89.72 153.03 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.907 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 4.1 t -140.67 151.28 44.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.641 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.15 51.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.95 0.405 . . . . 0.0 110.604 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.745 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.627 ' OD1' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 120.811 0.339 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.889 ' O ' HG13 ' A' ' 12' ' ' ILE . 27.3 t -77.8 -51.53 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.384 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -27.27 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.468 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.627 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.02 -8.8 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.388 . . . . 0.0 110.721 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.889 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -111.93 4.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.148 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.635 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 14.8 t30 80.78 32.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.581 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -110.93 172.41 15.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.031 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.892 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.7 p -107.5 151.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.79 97.26 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.98 0.419 . . . . 0.0 111.201 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.768 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 1.7 ttm180 -110.79 -161.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.818 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -86.26 142.19 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.774 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.852 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.44 4.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.223 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -134.34 23.01 3.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.648 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.687 ' HG1' ' NZ ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -43.09 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.859 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.05 -60.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.343 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.859 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -133.87 37.64 3.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.944 -179.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.609 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.6 t -110.91 70.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 1.033 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -18.47 130.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.792 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.887 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -100.51 146.12 27.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.977 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 11.7 mt -100.84 81.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.03 -67.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.499 . . . . 0.0 110.793 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.9 mt -34.37 -45.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.861 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.777 ' HB1' ' CG2' ' A' ' 27' ' ' ILE . . . -98.7 142.77 29.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.602 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.0 m-20 -101.37 178.61 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.816 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.49 -144.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.057 179.371 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.489 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -152.0 -7.93 0.21 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.238 0.542 . . . . 0.0 110.507 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 23.9 m-80 -89.34 -19.6 25.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.114 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 9.0 t0 89.32 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.432 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.55 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -112.04 3.92 27.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.281 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.816 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.6 mt-30 -117.57 150.64 38.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.852 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.21 -179.84 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.977 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 3.1 t -89.88 153.53 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.449 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -141.35 150.2 42.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.283 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 1.033 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -68.87 65.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 110.782 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.747 ' HE2' ' CA ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.704 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.651 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.9 t -102.96 -42.63 5.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.771 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.72 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.286 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -15.98 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.883 HD12 ' CB ' ' A' ' 30' ' ' ALA . 6.8 pt -108.06 -1.31 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.146 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 2.1 t30 80.77 37.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.008 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.883 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -112.91 -162.49 15.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.127 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.95 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 14.7 p -124.9 160.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.489 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -121.75 104.52 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.887 ' NH2' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -112.62 -155.24 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.749 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.662 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.24 137.93 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.866 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -59.25 -6.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.677 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.603 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.3 OUTLIER -124.41 25.75 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.603 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.9 m -43.07 -109.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.774 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.756 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.34 -65.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.534 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.756 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.91 38.57 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.975 -179.315 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.624 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -111.42 70.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.835 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -16.73 130.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.898 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -100.73 148.24 25.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 1.001 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 9.4 mt -100.65 85.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.26 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.61 -71.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.154 0.502 . . . . 0.0 110.94 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' PHE . 2.0 mt -31.08 -41.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.877 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.884 ' HB1' ' CG2' ' A' ' 27' ' ' ILE . . . -98.95 165.26 11.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.472 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 9' ' ' CYS . 10.8 m-20 -127.27 -179.25 4.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.529 ' C ' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -99.2 -171.29 2.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.847 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -126.35 -5.14 6.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.356 0.598 . . . . 0.0 110.715 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.448 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 23.8 m-80 -88.88 -122.0 0.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.777 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -143.25 -44.71 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.18 21.7 10.77 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.224 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.736 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -111.4 155.39 23.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 111.039 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.897 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -128.99 -178.8 4.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.701 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.001 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 44.0 t -89.99 149.17 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.879 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 41.3 t -140.51 153.52 46.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.718 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.6 51.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.798 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.95 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.819 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.636 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.925 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 40.5 t -115.69 -43.92 2.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.63 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.08 -26.86 63.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.514 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.52 -3.08 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.132 0.491 . . . . 0.0 110.577 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.901 HG12 ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -120.96 1.46 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.889 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.598 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 6.4 t-20 80.39 44.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.569 ' C ' ' HE2' ' A' ' 42' ' ' LYS . . . -125.89 174.27 17.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.448 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.933 HG11 ' HB3' ' A' ' 40' ' ' CYS . 7.6 p -104.98 160.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.675 ' H ' HG21 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -121.19 103.07 8.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.68 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.879 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -116.28 -153.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -90.16 139.22 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 1.02 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -62.54 1.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.758 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.595 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -133.56 19.97 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.471 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.595 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER -34.22 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.919 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -179.62 -65.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.55 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.919 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.3 27.42 5.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.904 -179.278 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.3 t -102.76 76.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.927 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 1.2 mtt180 -24.82 134.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.759 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.31 149.63 24.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 1.001 HD11 ' SG ' ' A' ' 39' ' ' CYS . 48.7 mt -100.43 96.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.71 28.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.634 ' H ' ' C ' ' A' ' 27' ' ' ILE . 3.4 mt -137.84 -33.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.965 0.412 . . . . 0.0 111.516 -178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.925 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . . . -99.3 136.18 39.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.373 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.722 ' O ' ' N ' ' A' ' 9' ' ' CYS . 95.4 m-20 -97.15 167.69 10.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.551 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 0.8 OUTLIER -99.6 -149.75 0.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.279 179.722 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.479 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -146.77 -8.87 0.47 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.332 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.855 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 26.9 m-80 -89.66 -20.44 23.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.951 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.855 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.6 OUTLIER 86.42 -28.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 -179.698 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -109.94 -1.92 30.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.272 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.879 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 4.2 mt-30 -109.29 161.14 15.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.832 0.349 . . . . 0.0 110.693 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 1.02 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -126.05 178.97 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.001 ' SG ' HD11 ' A' ' 27' ' ' ILE . 6.2 t -89.87 151.12 21.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.933 ' HB3' HG11 ' A' ' 15' ' ' VAL . 35.3 t -140.08 157.2 46.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.927 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 9.4 mtt-85 -74.72 51.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.901 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.624 ' H2 ' ' HD1' ' A' ' 1' ' ' PHE . 5.3 p90 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.678 HG21 ' H ' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -141.5 -179.09 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.678 ' H ' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -103.7 -174.3 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.007 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 69.77 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.756 ' HG3' ' NH1' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -109.2 120.53 45.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 5' ' ' ARG . 70.7 Cg_exo -50.64 -115.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.782 2.321 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.872 ' HG2' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -117.13 145.26 43.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.871 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -94.42 -144.14 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.968 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 49.8 t -114.64 -43.22 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -28.06 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.186 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.472 ' N ' HD12 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -74.49 -0.07 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.889 HD13 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -123.1 2.01 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.026 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.74 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 5.3 t-20 80.42 37.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.677 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.73 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.76 -170.69 14.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.515 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.831 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 8.3 p -121.25 161.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.661 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -115.32 100.96 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.759 ' HG2' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -112.42 -161.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.602 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.83 138.05 31.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.824 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.65 -2.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -127.18 22.73 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.759 HG22 ' HG2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -44.52 -105.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.748 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.29 -65.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.505 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.748 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.26 23.52 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.032 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.642 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -91.35 62.39 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.804 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.929 ' HB3' ' HE ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -10.77 128.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.958 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.851 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -99.55 149.44 23.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.775 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.934 HD11 ' SG ' ' A' ' 39' ' ' CYS . 48.1 mt -99.97 94.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.305 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 21.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.721 ' H ' ' C ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -130.53 -35.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.423 -179.008 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.968 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . . . -99.03 137.59 37.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.966 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.721 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -101.31 172.19 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.595 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -99.62 -147.56 0.34 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.38 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CD1' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -149.23 -9.74 0.32 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.231 -179.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.621 ' O ' ' HB3' ' A' ' 35' ' ' ASP . 28.9 m-80 -89.9 -21.17 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.221 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.621 ' HB3' ' O ' ' A' ' 34' ' ' ASN . 10.2 t70 88.78 -25.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.563 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.76 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -111.1 -5.58 26.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.29 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.749 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 2.5 mt-30 -105.98 162.12 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.928 0.394 . . . . 0.0 110.826 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.851 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -127.39 179.2 5.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.934 ' SG ' HD11 ' A' ' 27' ' ' ILE . 7.7 t -89.32 148.86 23.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.831 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 39.6 t -139.91 149.8 43.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.929 ' HE ' ' HB3' ' A' ' 25' ' ' ARG . 6.7 mtm180 -70.98 58.52 0.22 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.779 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.73 ' HE3' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.488 ' HB3' ' H ' ' A' ' 2' ' ' VAL . 2.7 m-30 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.537 ' O ' ' O ' ' A' ' 3' ' ' GLN . 13.8 p -126.5 35.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.537 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 37.06 -165.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -108.69 -27.55 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.67 ' HG3' ' HD2' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -119.82 162.82 31.06 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.429 . . . . 0.0 111.04 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.67 ' HD2' ' HG3' ' A' ' 5' ' ' ARG . 43.3 Cg_endo -67.89 -114.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.811 2.341 . . . . 0.0 112.19 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.811 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -111.13 133.27 53.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.801 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.673 ' OD2' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.81 174.91 4.69 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.16 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.887 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.0 t -95.06 -48.89 5.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -32.47 70.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.673 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -70.15 -21.32 63.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.854 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.887 HG13 ' O ' ' A' ' 9' ' ' CYS . 6.2 pt -99.71 -2.08 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.744 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 49.7 t30 80.37 42.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.65 -168.97 14.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.835 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.9 p -121.54 154.1 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.633 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -110.74 97.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -111.36 -155.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.738 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 139.61 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.881 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.31 -0.58 1.31 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.59 ' O ' ' O ' ' A' ' 21' ' ' THR . 5.5 t0 -129.2 23.59 5.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.59 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.55 -107.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.838 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.11 -65.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.764 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.838 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -128.07 26.66 5.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.059 -179.063 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 25' ' ' ARG . 3.8 t -100.61 67.07 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.867 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 27.7 mtt85 -16.6 136.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.911 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 2.9 tt0 -105.17 148.41 26.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.964 HG23 ' HB1' ' A' ' 30' ' ' ALA . 8.1 mt -103.41 84.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -40.07 -73.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.065 0.46 . . . . 0.0 110.816 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.701 ' HB3' HH11 ' A' ' 7' ' ' ARG . 1.3 mt -23.44 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.614 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.964 ' HB1' HG23 ' A' ' 27' ' ' ILE . . . -99.33 166.54 11.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' ARG . 93.2 m-20 -126.6 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.55 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.8 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.06 -153.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.111 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.674 ' HD1' ' O ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -144.74 -5.31 0.73 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 110.384 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.692 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 19.9 m-80 -88.92 -107.94 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.809 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.82 -34.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.247 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.412 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -124.81 15.8 7.43 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.793 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.8 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.4 mt-30 -109.63 145.44 36.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 111.089 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.911 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -122.81 -177.65 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.888 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 13.2 t -89.67 147.54 23.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.149 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.867 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 13.3 t -140.57 152.73 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.498 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.58 54.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.849 0.357 . . . . 0.0 110.729 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.74 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.855 0.36 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.555 HG21 ' N ' ' A' ' 3' ' ' GLN . 7.6 p -136.88 145.43 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.555 ' N ' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -85.21 131.18 34.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 -39.57 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 5' ' ' ARG . 0.7 OUTLIER -135.21 147.09 60.88 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.29 -87.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.719 2.279 . . . . 0.0 112.226 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.51 ' HE ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -149.62 139.02 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.704 ' OD2' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -64.4 154.77 34.6 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.058 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.877 ' O ' HG13 ' A' ' 12' ' ' ILE . 53.5 t -69.53 -47.21 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -31.93 73.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.704 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 32.5 t -73.83 -13.4 60.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.796 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.934 HD12 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -103.43 1.91 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.997 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.732 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 5.8 t30 79.36 33.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.715 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.59 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.46 -176.02 16.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.783 ' HB ' ' CE ' ' A' ' 42' ' ' LYS . 11.3 p -112.78 164.18 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.547 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.6 98.17 6.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.794 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.34 -158.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.57 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.22 139.97 30.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.819 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 3.9 ptmt -73.78 6.96 2.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.1 t70 -133.73 21.21 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.508 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.51 -111.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.755 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.38 -63.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 0.0 111.63 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.755 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -125.3 35.68 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.929 -179.293 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.649 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 37.8 t -108.24 77.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.796 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.853 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -22.96 123.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.202 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.885 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.29 144.62 29.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.826 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.993 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 20.6 mt -101.42 81.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -41.01 -67.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 110.791 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt -29.71 -48.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.68 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.7 ' HB3' HG12 ' A' ' 12' ' ' ILE . . . -99.05 149.03 23.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -107.7 179.62 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.863 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.15 -147.3 0.33 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.037 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.487 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -146.56 -9.7 0.48 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.251 0.548 . . . . 0.0 110.534 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.572 ' HB2' ' HG3' ' A' ' 37' ' ' GLN . 27.9 m-80 -89.53 -19.3 25.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.821 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.5 t0 87.57 -27.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.345 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.75 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -110.8 -6.32 26.66 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.938 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.863 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.7 mt-30 -107.77 152.36 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.623 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.819 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.3 -177.47 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.993 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 4.2 t -89.15 151.65 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.853 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 1.1 m -140.4 148.73 41.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.501 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.735 ' CD ' ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.42 54.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.758 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.783 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.651 ' O ' ' HD1' ' A' ' 1' ' ' PHE . 9.1 p90 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.745 0.307 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 2' ' ' VAL . 82.8 t -125.18 52.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -122.94 126.59 47.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.51 78.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -114.98 117.86 41.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.95 172.85 0.24 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.611 2.207 . . . . 0.0 112.053 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.924 ' CZ ' ' HB3' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -40.05 131.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.62 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.3 157.16 8.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.9 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.9 t -81.45 -53.08 6.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -26.86 68.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.62 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 40.1 t -69.08 -22.77 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.9 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.3 pt -99.78 0.3 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.852 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.711 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 27.9 t30 81.19 42.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.742 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -117.21 -173.41 16.53 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.277 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.913 HG11 ' HB3' ' A' ' 40' ' ' CYS . 5.7 p -117.73 163.64 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.861 ' H ' HG21 ' A' ' 15' ' ' VAL . 47.0 t -119.88 103.11 9.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.962 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 5.7 mtt-85 -113.49 -157.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.599 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.09 135.13 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.957 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.1 -2.84 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.384 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.37 25.58 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.433 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.599 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -44.92 -108.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.742 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.22 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 111.561 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.742 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.87 27.6 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.097 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.962 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 4.3 t -100.77 68.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.726 ' HB3' ' CZ ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -19.27 129.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 1.019 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 5.3 tt0 -100.55 153.7 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.962 HG21 ' H ' ' A' ' 30' ' ' ALA . 38.6 mt -99.67 87.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.13 13.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.616 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.924 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 2.6 mt -117.61 -43.71 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.843 0.354 . . . . 0.0 111.412 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.962 ' H ' HG21 ' A' ' 27' ' ' ILE . . . -99.85 145.16 28.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.744 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -99.41 -179.01 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.896 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.06 -138.72 0.31 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.917 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.474 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -160.4 -8.28 0.05 Allowed 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.197 0.522 . . . . 0.0 110.37 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.769 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 21.3 m-80 -89.92 -20.03 23.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.895 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.769 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.6 m-20 89.64 -24.75 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.63 -0.16 21.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.801 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt-30 -115.58 158.68 22.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.781 0.325 . . . . 0.0 110.976 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 1.019 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -121.44 -179.68 4.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.775 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 6.5 t -90.01 148.2 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.307 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.913 ' HB3' HG11 ' A' ' 15' ' ' VAL . 49.9 t -137.04 152.98 50.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.353 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.726 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.3 mtm180 -72.59 52.18 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 0.0 110.704 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.896 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 p90 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.891 0.377 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 4' ' ' HIS . 16.4 t -145.55 155.27 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.04 79.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.548 ' N ' ' O ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -123.56 -56.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.693 ' NH2' ' OH ' ' A' ' 33' ' ' TYR . 32.4 ttp180 -100.61 146.6 32.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.871 ' C ' ' HG3' ' A' ' 7' ' ' ARG . 85.8 Cg_endo -83.36 43.74 1.5 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.033 2.488 . . . . 0.0 112.569 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.871 ' HG3' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 50.73 155.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.972 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.636 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -98.53 -160.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.101 0.477 . . . . 0.0 110.786 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.878 ' O ' HG13 ' A' ' 12' ' ' ILE . 31.8 t -98.88 -43.06 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.007 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -20.09 62.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.878 HG13 ' O ' ' A' ' 9' ' ' CYS . 5.9 pt -99.91 -1.38 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.066 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.617 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 9.7 t30 80.53 36.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.619 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.744 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -116.03 -159.2 11.81 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.385 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.948 HG12 ' HB3' ' A' ' 40' ' ' CYS . 7.5 p -127.45 164.22 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 111.188 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.767 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -124.12 104.63 8.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.911 ' NH2' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -113.61 -152.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.489 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.49 146.05 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.95 0.405 . . . . 0.0 110.814 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.88 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.07 -4.51 13.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.703 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -126.49 26.12 6.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.748 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.597 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.68 -108.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.939 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.89 -64.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.49 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.939 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -130.46 33.42 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.977 -179.267 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.646 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.3 t -107.11 65.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 1.096 ' HB3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.09 131.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.761 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.901 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -99.96 156.05 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.141 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.966 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 mt -111.46 83.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.24 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.207 0.527 . . . . 0.0 110.9 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -26.34 -44.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.88 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.795 ' HB1' ' CG2' ' A' ' 27' ' ' ILE . . . -98.82 162.21 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.487 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.766 ' CG ' ' HG2' ' A' ' 6' ' ' PRO . 1.6 m-20 -125.47 179.34 5.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.033 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.682 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.01 -156.98 0.57 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.143 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.693 ' OH ' ' NH2' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -139.01 -6.46 1.43 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -179.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 20.2 m-80 -88.9 -118.51 0.05 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.774 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -150.17 -31.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.62 179.684 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.714 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -125.87 14.52 7.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.984 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.682 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 2.0 mt-30 -109.0 142.76 39.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.88 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.97 -173.46 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.679 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.966 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 21.5 t -91.3 148.93 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.24 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.948 ' HB3' HG12 ' A' ' 15' ' ' VAL . 42.6 t -140.59 152.33 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.54 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.096 ' HD2' ' HB3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -72.7 52.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.728 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.809 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.643 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.832 0.348 . . . . 0.0 111.208 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.608 ' CG2' ' O ' ' A' ' 2' ' ' VAL . 2.1 p -96.26 55.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.622 ' HG2' HH12 ' A' ' 5' ' ' ARG . 1.6 mt-30 -76.42 62.12 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -101.71 88.42 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.076 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.622 HH12 ' HG2' ' A' ' 3' ' ' GLN . 1.9 mtm-85 -93.81 159.68 34.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.597 ' O ' ' C ' ' A' ' 7' ' ' ARG . 40.1 Cg_endo -67.16 107.33 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.78 2.32 . . . . 0.0 112.448 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.597 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -20.87 139.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.736 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -93.01 -159.98 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.718 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.908 ' O ' HG13 ' A' ' 12' ' ' ILE . 51.9 t -96.07 -45.12 7.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.724 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -30.39 71.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.9 t -69.47 -16.71 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.908 HG13 ' O ' ' A' ' 9' ' ' CYS . 4.3 pt -106.29 0.63 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.48 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER 80.95 41.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.669 -179.594 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.801 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -122.88 -164.16 12.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.443 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.878 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -125.55 165.76 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.712 ' H ' HG21 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -114.86 100.31 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.867 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.71 -163.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.772 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.577 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.24 141.81 28.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.914 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.842 ' HG2' ' O ' ' A' ' 36' ' ' GLY . 14.9 pttt -74.84 4.02 7.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.23 24.34 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -56.11 -107.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.74 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -173.09 -63.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.498 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.74 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.08 27.8 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.685 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -92.7 84.97 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.887 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -30.89 121.92 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.908 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -99.77 148.07 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 1.019 HG23 ' HB1' ' A' ' 30' ' ' ALA . 11.1 mt -105.6 81.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.491 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.34 -70.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.227 0.537 . . . . 0.0 110.691 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 28' ' ' PHE . 3.9 mt -26.34 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.695 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.019 ' HB1' HG23 ' A' ' 27' ' ' ILE . . . -98.62 161.82 13.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.711 ' O ' ' N ' ' A' ' 9' ' ' CYS . 24.6 m-20 -118.67 175.03 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.982 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.616 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -99.15 -146.89 0.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.258 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.667 ' CG ' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -147.29 -8.27 0.45 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.183 0.516 . . . . 0.0 110.684 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.696 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.2 m-80 -89.12 -18.36 27.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.822 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.696 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.5 m-20 83.87 -22.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.842 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -115.5 -5.26 19.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.052 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.867 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 5.2 mt-30 -107.99 161.47 14.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.776 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.53 -178.8 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.685 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.908 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 24.7 t -89.62 153.54 20.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.887 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 1.6 t -140.12 151.44 45.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.554 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -70.39 61.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.792 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.838 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.966 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.5 ' HB3' ' H ' ' A' ' 2' ' ' VAL . 2.3 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.884 0.374 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.5 ' H ' ' HB3' ' A' ' 1' ' ' PHE . 3.9 t -106.8 110.43 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.594 ' HG3' ' H ' ' A' ' 4' ' ' HIS . 21.9 tp60 -124.14 171.08 10.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.594 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 4.5 t-80 -116.82 106.75 13.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.735 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -128.21 129.16 23.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.688 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 39.7 Cg_exo -60.43 141.27 95.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.837 2.358 . . . . 0.0 112.17 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.717 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -28.17 135.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.813 ' HB3' ' HE1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.33 167.16 18.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.175 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.894 ' O ' HG13 ' A' ' 12' ' ' ILE . 42.5 t -85.44 -50.17 7.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -30.65 70.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.781 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 22.8 t -68.73 -23.19 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.962 HD12 ' HB1' ' A' ' 30' ' ' ALA . 5.1 pt -99.93 0.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.759 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 4.2 t30 81.12 50.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.801 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.795 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -131.07 -176.84 14.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.298 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.796 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -115.03 164.16 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 111.308 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -116.91 99.84 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.672 ' NH1' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -107.57 -156.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.44 135.29 33.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.891 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -63.03 -0.51 0.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.408 179.648 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.549 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t70 -128.79 26.17 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.627 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -48.57 -112.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.81 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.757 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.99 -64.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.46 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.757 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -127.68 28.92 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.877 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.62 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -102.68 67.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.763 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.845 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -16.82 131.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.883 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -102.69 151.38 22.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.893 HG23 ' HB1' ' A' ' 30' ' ' ALA . 10.0 mt -106.86 82.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -39.11 -71.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.168 0.509 . . . . 0.0 110.774 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 2.5 mt -23.27 -49.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.962 ' HB1' HD12 ' A' ' 12' ' ' ILE . . . -99.09 160.64 14.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.694 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.688 ' OD2' ' HG2' ' A' ' 6' ' ' PRO . 75.0 m-20 -119.27 -176.58 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.704 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.765 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -99.22 -150.8 0.38 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.204 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.813 ' HE1' ' HB3' ' A' ' 8' ' ' ASP . 2.5 m-85 -146.15 -6.98 0.55 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.337 0.589 . . . . 0.0 110.418 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 21.8 m-80 -89.25 -114.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.772 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 37.6 t70 -152.9 -32.53 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.412 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -125.2 13.02 7.53 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.865 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.765 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 1.7 mm100 -106.84 143.53 34.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 111.051 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.891 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -124.01 -173.72 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.605 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.89 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 11.7 t -89.67 148.49 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.845 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 53.9 t -140.52 155.49 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.601 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 2.8 mtm180 -73.05 46.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.419 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.795 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.776 0.322 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -101.4 130.61 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -146.95 -173.63 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -99.93 -57.02 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.719 ' HG3' HH11 ' A' ' 5' ' ' ARG . 0.0 OUTLIER -94.85 160.56 30.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.751 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.426 ' HG2' ' CG ' ' A' ' 31' ' ' ASP . 37.2 Cg_endo -66.08 -135.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.763 2.308 . . . . 0.0 112.149 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.594 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -104.19 141.23 36.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.898 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -67.18 -166.01 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.885 ' O ' HG12 ' A' ' 12' ' ' ILE . 36.1 t -112.47 -48.51 3.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.835 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.38 -27.27 63.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.416 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.537 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -74.4 0.5 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 110.633 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.946 HG13 ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -122.68 5.02 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.617 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 51.3 t30 80.82 38.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.715 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' CD ' ' A' ' 42' ' ' LYS . . . -123.43 173.0 16.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.298 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.901 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.6 p -105.37 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.756 0.312 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -119.94 101.81 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.725 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -113.0 -152.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.761 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -88.47 142.71 27.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 -179.767 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.848 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.93 0.91 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.566 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -129.9 28.58 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.692 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.455 ' H ' ' HG1' ' A' ' 21' ' ' THR . 0.2 OUTLIER -53.91 -110.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.743 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.19 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.429 . . . . 0.0 111.606 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.743 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -127.38 28.81 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -98.6 74.26 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.816 ' HD3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -26.38 127.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.916 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.68 154.17 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.896 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 40.2 mt -99.83 95.72 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.642 ' CD2' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.0 19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.815 ' H ' HG21 ' A' ' 27' ' ' ILE . 2.1 mt -126.32 -38.52 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 111.351 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.946 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -99.05 134.11 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.594 ' OD1' ' O ' ' A' ' 7' ' ' ARG . 2.9 m-20 -101.98 173.15 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.863 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -99.37 -158.72 0.69 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.197 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -139.55 -7.28 1.3 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.413 0.625 . . . . 0.0 110.299 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.79 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.7 m-80 -89.38 -19.27 25.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.822 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.79 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER 88.01 -21.46 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.509 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.799 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -118.21 -2.47 15.77 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.254 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.863 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 4.0 mt-30 -106.15 148.96 27.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.728 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.848 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -119.02 178.22 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.916 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 1.8 t -89.62 148.35 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.499 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.901 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 12.0 t -140.29 143.75 36.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.816 ' HD2' ' HD3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -61.82 70.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.727 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.12 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.45 ' HD1' ' HA ' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.827 0.346 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 2' ' ' VAL . 11.6 p -129.88 38.52 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -108.6 95.31 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.496 ' HB3' ' H ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -95.6 -143.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.536 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -147.55 115.6 4.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.536 ' O ' ' O ' ' A' ' 5' ' ' ARG . 74.9 Cg_exo -49.52 -123.21 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.806 2.337 . . . . 0.0 112.42 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' H ' ' HB2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -127.08 152.56 47.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.871 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -96.35 -158.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.876 ' O ' HG13 ' A' ' 12' ' ' ILE . 50.4 t -101.42 -43.17 6.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.737 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -30.35 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.332 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 m -74.21 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.876 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -109.84 0.85 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.035 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 3.4 t-20 80.16 36.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.766 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.793 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.36 -175.15 15.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.395 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.895 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 7.7 p -111.52 164.86 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.792 ' H ' HG21 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -126.43 105.97 9.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.221 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.765 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -118.08 -155.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.782 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.531 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -90.16 146.21 24.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.859 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -72.43 15.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.743 179.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.589 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.25 18.96 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -41.63 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.579 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.783 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.96 -64.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.783 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.83 35.7 4.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.08 -179.239 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.8 t -110.47 74.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.799 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -24.03 131.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.889 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.03 150.36 22.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.981 HG23 ' H ' ' A' ' 30' ' ' ALA . 36.8 mt -100.07 93.72 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.76 24.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.403 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.697 ' H ' ' C ' ' A' ' 27' ' ' ILE . 7.3 mt -130.28 -37.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 111.248 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.981 ' H ' HG23 ' A' ' 27' ' ' ILE . . . -99.34 141.15 32.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 m-20 -103.27 170.66 7.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 1.2 m -98.97 -148.18 0.34 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.107 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.505 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -144.21 -10.22 0.66 Allowed 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.236 0.541 . . . . 0.0 110.727 -179.649 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.775 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 23.6 m-80 -89.44 -19.81 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 11.3 t0 86.43 -20.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.613 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.78 ' C ' ' HD3' ' A' ' 19' ' ' LYS . . . -115.92 -3.78 19.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.371 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.775 ' NE2' ' ND2' ' A' ' 34' ' ' ASN . 39.1 mt-30 -107.03 146.82 30.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.361 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.859 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.0 174.64 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.889 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.0 t -89.73 151.14 21.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.895 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 49.2 t -140.09 149.41 43.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.484 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.523 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -71.08 58.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.779 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.883 ' CD ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.433 ' HB2' ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.917 0.389 . . . . 0.0 111.134 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -111.22 -165.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 79.51 38.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.729 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -104.68 -46.6 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -129.77 152.15 79.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.092 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.83 -73.72 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.765 2.31 . . . . 0.0 112.123 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -154.23 135.0 13.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -70.69 152.55 43.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.887 ' O ' HG13 ' A' ' 12' ' ' ILE . 46.2 t -72.15 -49.1 38.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.08 -33.67 73.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.274 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.46 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 6.0 t -65.38 -22.73 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.182 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.887 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.0 pt -99.94 1.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 0.0 111.283 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.678 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 10.0 t30 81.27 41.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.716 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.702 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -122.56 175.76 16.47 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.165 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.56 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 13.2 p -109.42 166.49 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.238 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.803 ' SG ' ' HB2' ' A' ' 37' ' ' GLN . 50.1 t -118.06 101.26 8.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.84 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -112.85 -157.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.525 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -88.76 134.97 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.799 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.822 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -68.99 10.45 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -139.89 25.99 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.564 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.506 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -49.22 -104.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.643 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.944 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.53 -64.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.944 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -127.01 21.96 6.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.774 -179.323 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.475 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 18.1 t -94.35 94.56 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.761 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 1.105 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 10.8 mtt85 -41.9 128.87 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.877 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 10.5 tt0 -99.92 150.75 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.896 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 12.1 mt -107.97 83.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -42.19 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 110.566 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.2 mt -29.22 -47.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.731 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . . . -99.33 146.38 26.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.082 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 1.1 m-20 -108.97 -175.27 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.796 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.05 -141.88 0.32 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.921 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.538 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -161.33 -5.29 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.359 0.599 . . . . 0.0 110.304 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.834 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 19.0 m-80 -89.63 -19.29 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.834 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 1.1 m-20 89.71 -19.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.64 2.47 9.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.84 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 14.2 mt-30 -118.04 159.44 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.822 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -123.22 -172.47 2.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.896 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 6.2 t -89.59 148.02 23.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.751 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -137.43 150.64 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.443 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.105 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.8 45.67 0.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.612 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.702 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.848 0.356 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 m -97.34 -167.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.6 ' HG2' ' HD3' ' A' ' 5' ' ' ARG . 3.3 tt0 68.05 74.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.758 ' C ' ' HD2' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -92.57 64.11 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.758 ' HD2' ' C ' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -134.14 148.18 66.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.463 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 48.0 Cg_exo -55.59 -94.69 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.08 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.7 ' HG2' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -131.65 134.69 46.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.623 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -55.68 144.67 26.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.102 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.873 ' O ' HG13 ' A' ' 12' ' ' ILE . 30.0 t -66.97 -50.7 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -30.71 71.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.623 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -72.33 -11.01 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.389 . . . . 0.0 110.9 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.873 HG13 ' O ' ' A' ' 9' ' ' CYS . 1.1 pp -108.77 3.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.543 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 60.4 t30 80.91 37.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.991 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.874 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -120.99 170.74 14.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.098 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.963 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 7.6 p -103.18 158.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.614 ' H ' HG21 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -113.32 97.57 6.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 111.281 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.857 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 5.3 tpp180 -105.19 -172.64 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.369 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.857 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -78.64 129.64 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 110.684 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 1.038 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -57.63 7.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.725 ' H ' ' C ' ' A' ' 18' ' ' HIS . 1.1 t0 -138.24 21.62 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.331 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.687 ' HG1' ' HG3' ' A' ' 17' ' ' ARG . 1.7 m -43.78 -109.45 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.881 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.23 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.693 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.881 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -128.05 36.52 4.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.065 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.625 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.0 t -110.94 69.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.794 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -16.66 131.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.923 ' HB2' ' HD3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -102.96 155.35 18.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.939 HG21 ' H ' ' A' ' 30' ' ' ALA . 50.2 mt -102.03 87.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.64 14.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.591 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.745 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -118.14 -43.28 2.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.939 ' H ' HG21 ' A' ' 27' ' ' ILE . . . -99.45 138.84 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -97.08 173.37 7.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.796 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.31 -145.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.688 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.463 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.4 OUTLIER -147.94 -9.84 0.39 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.186 0.517 . . . . 0.0 110.803 -179.404 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 21.0 m-80 -89.18 -18.15 27.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.057 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.8 t0 82.35 -21.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.348 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 19' ' ' LYS . . . -113.13 -8.2 20.2 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.984 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.853 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 4.9 mt-30 -111.61 146.8 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 1.038 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.73 -177.31 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.886 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.4 t -89.78 149.97 22.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.756 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.917 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 49.0 t -136.82 151.58 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.624 ' O ' ' O ' ' A' ' 42' ' ' LYS . 1.4 mtm180 -69.87 61.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.963 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.719 ' N ' ' HD1' ' A' ' 1' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.771 0.32 . . . . 0.0 111.224 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.656 HG11 ' H ' ' A' ' 3' ' ' GLN . 74.6 t -148.43 171.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.656 ' H ' HG11 ' A' ' 2' ' ' VAL . 4.0 tt0 55.16 98.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.46 66.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -141.02 132.11 13.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.791 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -44.99 -95.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.829 2.353 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.699 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -129.13 138.77 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.776 ' OD2' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER -71.22 151.62 44.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.023 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.873 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.7 t -65.87 -48.27 72.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.22 -32.46 71.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.058 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.776 ' HB3' ' OD2' ' A' ' 8' ' ' ASP . 91.9 p -68.52 -22.48 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.888 ' CD1' HG22 ' A' ' 27' ' ' ILE . 4.6 pt -99.68 -1.72 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.462 HD21 ' HA ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER 81.14 44.75 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.154 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.654 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.55 -163.78 12.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.199 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.881 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.3 p -125.64 161.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 111.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.667 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -121.53 103.0 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.102 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.943 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 7.1 tpp85 -111.51 -151.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.943 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 136.58 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.927 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -60.48 2.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.549 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' A' ' 21' ' ' THR . 2.4 t0 -134.3 24.34 3.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.461 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.689 HG21 ' HG2' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -40.31 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.551 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.881 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.43 -65.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.491 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.881 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -132.1 29.79 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.909 -179.347 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.644 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.3 t -100.54 69.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 1.023 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.65 130.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.875 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -100.2 144.73 28.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.065 -179.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 1.013 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 mt -102.63 86.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.32 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.155 0.502 . . . . 0.0 110.875 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.63 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -26.41 -44.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.941 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.699 ' HA ' ' O ' ' A' ' 7' ' ' ARG . . . -98.96 153.92 18.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.945 0.403 . . . . 0.0 111.53 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.99 -179.17 3.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.635 ' SG ' ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.44 -145.42 0.33 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.172 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.494 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 m-85 -151.55 -9.13 0.22 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.357 0.599 . . . . 0.0 110.378 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.611 ' ND2' HE21 ' A' ' 37' ' ' GLN . 29.1 m-80 -89.74 -131.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.791 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.415 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 m-20 -138.64 -18.35 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.29 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.75 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -135.57 13.83 4.23 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.984 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.784 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 1.7 mt-30 -109.56 145.72 35.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.927 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -128.95 -175.61 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.687 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.013 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 24.8 t -89.82 147.31 23.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.026 0.441 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 18.6 t -140.59 155.61 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.023 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -74.11 49.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 110.715 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.877 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.84 0.353 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 p -97.64 157.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -116.1 88.2 2.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 -19.79 18.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 8' ' ' ASP . 9.9 mmm-85 -126.33 94.37 41.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.498 ' C ' ' HG2' ' A' ' 7' ' ' ARG . 52.3 Cg_exo -52.6 -56.56 2.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.413 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.741 ' HD3' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -172.93 152.82 2.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.876 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -98.76 -146.5 0.32 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.641 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.869 ' O ' HG12 ' A' ' 12' ' ' ILE . 53.2 t -116.43 -43.7 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.835 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -27.29 64.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.445 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.466 ' N ' HD12 ' A' ' 12' ' ' ILE . 40.2 t -73.74 -0.93 17.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.04 0.448 . . . . 0.0 110.407 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.896 HG13 ' CB ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -124.46 2.04 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.871 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 0.4 OUTLIER 80.86 46.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.87 ' CA ' ' HE2' ' A' ' 42' ' ' LYS . . . -129.14 -175.23 13.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.247 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.894 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.8 p -115.44 158.94 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.98 92.54 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.858 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 3.5 mmt180 -103.88 -154.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.472 ' H ' ' HB3' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.27 154.8 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.009 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 1.008 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -83.25 -0.98 51.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.188 179.37 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -131.05 28.36 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.274 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.499 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -51.71 -113.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.831 -179.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.754 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.538 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.754 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -127.67 34.57 4.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.884 -179.332 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.0 t -108.61 68.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.886 ' HB2' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -13.68 132.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.753 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.64 151.86 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.795 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.834 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 9.9 mt -114.65 85.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -43.92 -68.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 110.533 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.741 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -33.95 -43.6 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.421 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.896 ' CB ' HG13 ' A' ' 12' ' ' ILE . . . -99.03 149.67 22.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.236 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.73 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 5.7 m-20 -117.34 -177.59 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.809 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -99.09 -164.48 1.13 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.865 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.679 ' CD2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -137.26 -5.07 1.85 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.574 0.702 . . . . 0.0 109.945 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.599 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 37.3 m-80 -89.65 -23.41 21.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.8 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 18.7 t0 92.69 -28.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.714 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.782 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -114.04 -1.25 23.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.392 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.858 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 13.4 mt-30 -109.76 160.43 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 1.008 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.5 179.91 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.834 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 10.7 t -89.83 148.86 22.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.894 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -140.17 151.28 45.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.886 ' HG3' ' HB2' ' A' ' 25' ' ' ARG . 84.7 mtt180 -71.71 61.25 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.871 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 1.6 mptp? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.666 ' C ' HG21 ' A' ' 2' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.823 0.344 . . . . 0.0 111.207 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.666 HG21 ' C ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -148.88 42.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -39.77 119.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.686 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -121.47 -60.66 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.632 ' HD3' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -98.66 117.84 63.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.488 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 60.9 Cg_exo -51.62 -98.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.75 2.3 . . . . 0.0 112.358 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' H ' ' HB2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -119.09 148.03 43.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.893 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -71.07 -167.87 0.25 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.21 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.029 ' HA ' ' HB2' ' A' ' 30' ' ' ALA . 9.0 t -109.68 -49.51 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -27.79 65.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.658 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.842 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 20.1 m -74.67 1.02 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.659 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.017 HG13 ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -123.61 4.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER 80.77 41.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.948 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.732 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -121.86 167.32 14.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.21 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.907 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 11.7 p -103.9 154.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.688 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -106.26 83.5 1.9 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.754 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -101.4 -160.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.741 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.482 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.23 140.65 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.923 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -70.3 7.53 1.0 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -134.74 21.89 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -47.79 -109.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.727 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.823 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.32 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.46 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.823 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.14 36.17 4.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.834 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.619 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.6 t -104.62 70.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.763 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.835 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -17.13 125.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.781 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.837 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.0 154.37 18.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.925 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 23.5 mt -104.18 87.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.71 18.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.244 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.731 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -120.8 -40.27 2.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.008 0.432 . . . . 0.0 111.471 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.029 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . . . -99.02 149.45 22.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.27 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 9' ' ' CYS . 41.0 m-20 -105.95 170.01 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.707 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.14 -149.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.361 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.43 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 m-85 -143.96 -9.31 0.7 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.244 0.545 . . . . 0.0 110.699 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.759 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 25.0 m-80 -89.05 -19.61 25.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.037 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.759 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 84.18 -19.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.524 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -119.66 -2.55 12.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.225 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.754 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -111.43 149.93 30.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.65 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.923 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.76 178.95 4.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.111 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.925 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -89.78 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.066 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.907 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 6.4 t -140.93 122.74 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.651 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -37.88 80.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.786 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 3' ' ' GLN . 0.6 OUTLIER -135.48 45.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 2' ' ' VAL . 3.0 tt0 33.01 46.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -92.45 109.72 21.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -102.18 136.14 19.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.955 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.552 ' HD2' ' OD2' ' A' ' 31' ' ' ASP . 39.1 Cg_exo -56.83 -117.09 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.754 2.303 . . . . 0.0 112.081 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.679 ' HD3' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -101.54 142.53 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.753 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.789 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -58.73 173.77 0.39 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.898 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.9 t -100.22 -47.8 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -29.21 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.484 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.39 -9.37 58.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.633 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.898 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -109.96 3.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.13 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.777 ' ND2' ' HZ3' ' A' ' 42' ' ' LYS . 0.4 OUTLIER 80.73 36.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.84 ' CA ' ' HE3' ' A' ' 42' ' ' LYS . . . -117.56 -168.35 14.55 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.045 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.904 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 7.4 p -123.21 158.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.329 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.503 ' H ' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -115.14 101.83 9.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.317 -179.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.773 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -114.93 -157.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.637 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.773 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.35 150.45 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 1.005 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.67 -3.51 31.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -126.76 26.02 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.691 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 24' ' ' CYS . 1.5 m -48.14 -111.08 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.811 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -64.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.815 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.811 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.09 19.97 6.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.298 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.618 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.2 t -93.07 59.38 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.717 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.774 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 1.5 ttm180 -11.84 131.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.881 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.35 153.85 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.676 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.817 HG21 ' H ' ' A' ' 29' ' ' LEU . 27.5 mt -100.0 90.6 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.179 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.55 12.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.376 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.817 ' H ' HG21 ' A' ' 27' ' ' ILE . 2.8 mt -115.69 -44.06 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.916 0.389 . . . . 0.0 111.441 -179.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -99.6 161.31 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.146 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.604 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.2 m-20 -123.3 -178.5 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.858 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -99.57 -148.51 0.35 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.382 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 5.0 m-85 -147.36 -9.88 0.43 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 21.9 m-80 -89.58 -19.49 24.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.158 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.7 OUTLIER 87.17 -18.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -116.32 -5.57 16.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.264 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.858 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.8 mt-30 -109.1 149.9 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 1.005 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.22 179.93 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.881 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.7 t -89.74 147.55 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.899 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 44.0 t -140.14 147.69 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -72.06 55.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.904 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.544 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 2.7 m-30 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.759 0.314 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.0 t -92.4 117.17 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -126.17 -171.28 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.982 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -140.9 -46.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.714 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.711 ' H ' ' CD ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -93.25 148.86 36.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.767 179.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.465 ' HG2' ' H ' ' A' ' 7' ' ' ARG . 56.5 Cg_endo -70.56 -83.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.206 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.634 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -155.33 148.22 24.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.865 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -73.01 177.49 4.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.025 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.91 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.0 t -102.07 -48.28 4.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -32.99 72.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.344 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.481 ' CB ' ' OD2' ' A' ' 8' ' ' ASP . 41.3 t -69.38 -20.43 63.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.116 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.91 HG13 ' O ' ' A' ' 9' ' ' CYS . 4.7 pt -100.16 1.32 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER 81.11 42.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.682 -179.553 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.504 ' HA2' ' HD3' ' A' ' 42' ' ' LYS . . . -124.26 174.03 16.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.343 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.847 HG11 ' HB3' ' A' ' 40' ' ' CYS . 7.4 p -110.17 153.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 111.318 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -104.41 95.2 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 1.077 ' HD2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -110.84 -161.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -87.81 136.36 32.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.842 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.37 2.81 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.791 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 18' ' ' HIS . 1.8 t0 -131.2 23.52 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 1.077 HG22 ' HD2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -46.59 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.768 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.739 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.07 -64.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.808 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.739 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.35 39.49 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.867 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.9 t -110.36 67.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.879 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -16.13 132.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.892 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 tt0 -103.32 145.92 29.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.836 ' O ' HG23 ' A' ' 27' ' ' ILE . 7.7 mt -101.69 82.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.81 -72.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.255 0.55 . . . . 0.0 110.87 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 1.2 mt -22.49 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.035 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.865 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -98.76 -179.38 4.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.65 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.634 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -137.91 179.28 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.036 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.78 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.32 -145.6 0.33 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.307 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.478 ' HE2' ' HB3' ' A' ' 8' ' ' ASP . 3.1 m-85 -149.7 -8.86 0.31 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.277 0.561 . . . . 0.0 110.519 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.62 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 25.8 m-80 -89.34 -19.44 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.105 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 86.49 -22.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.174 -179.487 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.616 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -115.86 -5.46 17.93 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.02 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.865 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 11.6 mt-30 -109.24 156.39 19.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.749 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.842 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.81 179.9 4.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.892 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 9.9 t -89.18 151.48 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.879 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 34.4 t -139.64 153.58 47.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.372 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.718 ' HD2' ' HG3' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -69.93 36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.047 0.451 . . . . 0.0 110.642 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.594 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.009 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.834 0.35 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.629 HG11 ' N ' ' A' ' 3' ' ' GLN . 89.8 t -118.03 145.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.749 ' N ' HE21 ' A' ' 3' ' ' GLN . 0.0 OUTLIER -98.69 151.28 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.498 ' H ' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -103.31 -117.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' CB ' ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -147.77 171.31 6.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 5' ' ' ARG . 71.6 Cg_endo -74.92 -124.04 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.862 2.375 . . . . 0.0 112.536 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 2.8 mtp85 -106.15 155.2 19.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.894 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -102.71 -147.13 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.628 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.862 ' O ' HG12 ' A' ' 12' ' ' ILE . 48.7 t -113.25 -44.17 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.651 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -24.95 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.461 ' N ' HD12 ' A' ' 12' ' ' ILE . 29.1 p -72.94 -3.09 23.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.136 0.493 . . . . 0.0 110.297 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -122.83 -0.23 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.915 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.745 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 45.0 t30 80.52 38.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.642 ' CA ' ' HE2' ' A' ' 42' ' ' LYS . . . -114.78 -169.87 16.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.451 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.869 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 8.0 p -120.78 151.56 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.13 95.33 5.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -113.11 -165.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.492 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -83.4 136.91 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.869 ' HE2' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -62.06 -2.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.615 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -129.14 25.45 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.693 ' CG2' ' H ' ' A' ' 22' ' ' VAL . 2.5 t -46.2 -98.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.74 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.93 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.691 -179.763 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.74 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.7 25.2 4.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 -179.285 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.3 t -96.23 73.04 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.907 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -20.29 135.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.863 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.8 tt0 -100.55 151.77 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.857 ' CG2' ' HB1' ' A' ' 30' ' ' ALA . 33.2 mt -112.05 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.42 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -45.09 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.308 0.575 . . . . 0.0 110.509 179.562 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mp -34.98 -41.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.835 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.857 ' HB1' ' CG2' ' A' ' 27' ' ' ILE . . . -98.34 154.47 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.738 ' O ' ' N ' ' A' ' 9' ' ' CYS . 73.4 m-20 -122.26 174.3 7.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.219 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.855 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.59 -149.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.67 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -145.99 -8.76 0.54 Allowed 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.238 0.542 . . . . 0.0 110.645 -179.467 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 22.7 m-80 -89.35 -19.07 25.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER 86.42 -26.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.869 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -112.22 -4.64 25.45 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.307 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.855 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.1 mt-30 -111.63 146.02 38.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.3 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.842 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -112.95 179.91 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.863 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 7.2 t -89.72 153.03 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.907 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 4.1 t -140.67 151.28 44.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.641 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.15 51.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.95 0.405 . . . . 0.0 110.604 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.745 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.842 0.353 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.655 ' O ' ' C ' ' A' ' 3' ' ' GLN . 0.5 OUTLIER -114.68 162.5 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.083 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.655 ' C ' ' O ' ' A' ' 2' ' ' VAL . 28.7 mm100 -8.37 88.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -146.35 -99.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.088 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.436 ' H ' ' HB3' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -90.37 136.27 28.63 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.259 -179.669 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 46.3 Cg_exo -55.67 138.15 80.27 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.746 2.297 . . . . 0.0 111.969 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.594 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -26.19 133.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.734 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.627 ' OD1' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -52.06 155.31 1.91 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.93 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.889 ' O ' HG13 ' A' ' 12' ' ' ILE . 27.3 t -77.8 -51.53 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.384 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -27.27 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.468 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.627 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.02 -8.8 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.388 . . . . 0.0 110.721 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.889 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -111.93 4.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.148 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.635 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 14.8 t30 80.78 32.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.581 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -110.93 172.41 15.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.031 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.892 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.7 p -107.5 151.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.79 97.26 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.98 0.419 . . . . 0.0 111.201 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.768 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 1.7 ttm180 -110.79 -161.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.818 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -86.26 142.19 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.774 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.852 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.44 4.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.223 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -134.34 23.01 3.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.648 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.687 ' HG1' ' NZ ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -43.09 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.859 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.05 -60.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.343 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.859 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -133.87 37.64 3.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.944 -179.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.609 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.6 t -110.91 70.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 1.033 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -18.47 130.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.792 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.887 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -100.51 146.12 27.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.977 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 11.7 mt -100.84 81.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.03 -67.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.499 . . . . 0.0 110.793 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.544 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 1.9 mt -34.37 -45.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.861 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.777 ' HB1' ' CG2' ' A' ' 27' ' ' ILE . . . -98.7 142.77 29.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.602 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.0 m-20 -101.37 178.61 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.816 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.49 -144.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.057 179.371 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.489 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -152.0 -7.93 0.21 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.238 0.542 . . . . 0.0 110.507 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 23.9 m-80 -89.34 -19.6 25.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.114 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 9.0 t0 89.32 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.432 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.55 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -112.04 3.92 27.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.281 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.816 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.6 mt-30 -117.57 150.64 38.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.852 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.21 -179.84 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.977 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 3.1 t -89.88 153.53 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.449 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -141.35 150.2 42.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.283 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.033 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -68.87 65.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 110.782 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.747 ' HE2' ' CA ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.565 ' H2 ' ' HD1' ' A' ' 1' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.833 0.349 . . . . 0.0 111.179 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 t -109.44 146.84 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.459 ' H ' ' HG2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -70.11 98.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 179.84 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.77 60.72 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 144.48 50.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.823 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.596 ' C ' ' HG3' ' A' ' 7' ' ' ARG . 72.6 Cg_endo -75.53 56.46 4.57 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.77 2.313 . . . . 0.0 112.308 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.596 ' HG3' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 58.52 155.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.704 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.3 -158.9 0.67 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.459 179.688 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.651 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.9 t -102.96 -42.63 5.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.771 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.72 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.286 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -15.98 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.883 HD12 ' CB ' ' A' ' 30' ' ' ALA . 6.8 pt -108.06 -1.31 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.146 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 2.1 t30 80.77 37.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.008 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.883 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -112.91 -162.49 15.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.127 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.95 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 14.7 p -124.9 160.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.489 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -121.75 104.52 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.887 ' NH2' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -112.62 -155.24 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.749 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.662 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.24 137.93 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.866 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -59.25 -6.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.677 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.603 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.3 OUTLIER -124.41 25.75 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.603 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.9 m -43.07 -109.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.774 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.756 ' CG1' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.34 -65.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.534 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.756 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.91 38.57 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.975 -179.315 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.624 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -111.42 70.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.835 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -16.73 130.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.898 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -100.73 148.24 25.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 1.001 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 9.4 mt -100.65 85.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.26 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.61 -71.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.154 0.502 . . . . 0.0 110.94 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' PHE . 2.0 mt -31.08 -41.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.877 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.884 ' HB1' ' CG2' ' A' ' 27' ' ' ILE . . . -98.95 165.26 11.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.472 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.501 ' OD2' ' HG2' ' A' ' 6' ' ' PRO . 10.8 m-20 -127.27 -179.25 4.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.529 ' C ' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -99.2 -171.29 2.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.847 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -126.35 -5.14 6.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.356 0.598 . . . . 0.0 110.715 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.448 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 23.8 m-80 -88.88 -122.0 0.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.777 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -143.25 -44.71 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.18 21.7 10.77 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.224 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.736 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -111.4 155.39 23.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 111.039 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.897 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -128.99 -178.8 4.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.701 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.001 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 44.0 t -89.99 149.17 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.879 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 41.3 t -140.51 153.52 46.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.718 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.6 51.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.798 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.95 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.767 0.318 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -132.36 40.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER 29.15 34.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.617 ' N ' ' O ' ' A' ' 2' ' ' VAL . 0.3 OUTLIER -107.36 -45.73 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.684 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.675 HH21 ' HD1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -132.93 83.64 51.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.693 179.761 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.546 ' O ' ' O ' ' A' ' 5' ' ' ARG . 72.4 Cg_exo -48.11 -118.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.706 2.271 . . . . 0.0 112.185 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.748 HH21 ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -109.34 134.04 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.819 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -91.94 -143.22 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.636 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.925 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 40.5 t -115.69 -43.92 2.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.63 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.08 -26.86 63.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.514 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.52 -3.08 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.132 0.491 . . . . 0.0 110.577 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.901 HG12 ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -120.96 1.46 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.889 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.598 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 6.4 t-20 80.39 44.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.569 ' C ' ' HE2' ' A' ' 42' ' ' LYS . . . -125.89 174.27 17.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.448 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.933 HG11 ' HB3' ' A' ' 40' ' ' CYS . 7.6 p -104.98 160.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.675 ' H ' HG21 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -121.19 103.07 8.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.68 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.879 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -116.28 -153.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -90.16 139.22 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 1.02 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -62.54 1.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.758 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.595 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -133.56 19.97 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.471 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.595 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER -34.22 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.919 HG11 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -179.62 -65.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.55 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.919 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.3 27.42 5.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.904 -179.278 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.3 t -102.76 76.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.927 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 1.2 mtt180 -24.82 134.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.759 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.31 149.63 24.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 1.001 HD11 ' SG ' ' A' ' 39' ' ' CYS . 48.7 mt -100.43 96.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.71 28.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.748 ' HA ' HH21 ' A' ' 7' ' ' ARG . 3.4 mt -137.84 -33.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.965 0.412 . . . . 0.0 111.516 -178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.925 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . . . -99.3 136.18 39.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.373 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.722 ' O ' ' N ' ' A' ' 9' ' ' CYS . 95.4 m-20 -97.15 167.69 10.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.551 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 0.8 OUTLIER -99.6 -149.75 0.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.279 179.722 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.675 ' HD1' HH21 ' A' ' 5' ' ' ARG . 0.1 OUTLIER -146.77 -8.87 0.47 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.332 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.855 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 26.9 m-80 -89.66 -20.44 23.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.951 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.855 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.6 OUTLIER 86.42 -28.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 -179.698 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -109.94 -1.92 30.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.272 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.879 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 4.2 mt-30 -109.29 161.14 15.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.832 0.349 . . . . 0.0 110.693 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 1.02 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -126.05 178.97 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.001 ' SG ' HD11 ' A' ' 27' ' ' ILE . 6.2 t -89.87 151.12 21.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.933 ' HB3' HG11 ' A' ' 15' ' ' VAL . 35.3 t -140.08 157.2 46.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.927 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 9.4 mtt-85 -74.72 51.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.901 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.742 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.491 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.108 ' CA ' HD11 ' A' ' 12' ' ' ILE . 49.8 t -114.64 -43.22 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -28.06 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.186 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -74.49 -0.07 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.108 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -123.1 2.01 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.026 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.75 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 5.3 t-20 80.42 37.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.677 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.719 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.76 -170.69 14.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.515 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.892 HG13 ' HB3' ' A' ' 40' ' ' CYS . 8.3 p -121.25 161.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.565 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -115.32 100.96 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.741 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -112.42 -161.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.602 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.3 OUTLIER -89.83 138.05 31.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.829 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.65 -2.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.539 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -127.18 22.73 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.602 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -44.52 -105.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.797 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.29 -65.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.505 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.797 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.26 23.52 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.032 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.642 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -91.35 62.39 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.804 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.971 ' HB3' ' HE ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -10.77 128.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.958 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.874 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -99.55 149.44 23.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.775 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.062 HG22 ' H ' ' A' ' 30' ' ' ALA . 48.1 mt -99.97 94.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.305 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 21.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.683 ' H ' ' C ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -130.53 -35.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.423 -179.008 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.062 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.03 137.59 37.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.966 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.721 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -101.31 172.19 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.595 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -99.62 -147.56 0.34 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.38 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CD1' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -149.23 -9.74 0.32 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.231 -179.586 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.638 ' O ' ' HB3' ' A' ' 35' ' ' ASP . 28.9 m-80 -89.9 -21.17 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.221 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.638 ' HB3' ' O ' ' A' ' 34' ' ' ASN . 10.2 t70 88.78 -25.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.563 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.776 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -111.1 -5.58 26.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.29 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.741 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 6.1 mt-30 -105.98 162.12 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.928 0.394 . . . . 0.0 110.826 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.874 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -127.39 179.2 5.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.945 ' SG ' HD12 ' A' ' 27' ' ' ILE . 7.7 t -89.32 148.86 23.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HB3' HG13 ' A' ' 15' ' ' VAL . 39.6 t -139.91 149.8 43.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.971 ' HE ' ' HB3' ' A' ' 25' ' ' ARG . 6.7 mtm180 -70.98 58.52 0.22 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.779 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.719 ' HE3' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.798 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.882 0.373 . . . . 0.0 111.16 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.909 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.0 t -95.06 -48.89 5.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -32.47 70.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.671 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -70.15 -21.32 63.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.854 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.909 HG13 ' O ' ' A' ' 9' ' ' CYS . 6.2 pt -99.71 -2.08 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.744 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 49.7 t30 80.37 42.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.65 -168.97 14.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.833 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.9 p -121.54 154.1 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -110.74 97.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -111.36 -155.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.759 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 139.61 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.889 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.31 -0.58 1.31 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.59 ' O ' ' O ' ' A' ' 21' ' ' THR . 5.5 t0 -129.2 23.59 5.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.59 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.55 -107.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.815 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.11 -65.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.764 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.815 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -128.07 26.66 5.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.059 -179.063 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 25' ' ' ARG . 3.8 t -100.61 67.07 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.877 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 27.7 mtt85 -16.6 136.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.947 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 2.9 tt0 -105.17 148.41 26.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.836 HG21 ' CD1' ' A' ' 12' ' ' ILE . 8.1 mt -103.41 84.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -40.07 -73.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.065 0.46 . . . . 0.0 110.816 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.3 mt -23.44 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.614 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.798 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -99.33 166.54 11.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 93.2 m-20 -126.6 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.55 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.79 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.06 -153.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.111 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.671 ' HD1' ' O ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -144.74 -5.31 0.73 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 110.384 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 6.3 m120 -88.92 -107.94 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.809 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.82 -34.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.247 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -124.81 15.8 7.43 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.793 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.79 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 28.1 mt-30 -109.63 145.44 36.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 111.089 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.947 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -122.81 -177.65 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.9 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 13.2 t -89.67 147.54 23.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.149 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.877 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 13.3 t -140.57 152.73 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.498 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.58 54.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.849 0.357 . . . . 0.0 110.729 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.751 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.727 ' OD2' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 120.755 0.312 . . . . 0.0 111.058 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.857 ' O ' HG13 ' A' ' 12' ' ' ILE . 53.5 t -69.53 -47.21 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -31.93 73.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.727 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 32.5 t -73.83 -13.4 60.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.796 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.907 HD11 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -103.43 1.91 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.997 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.69 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 19.6 t-20 79.36 33.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.715 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.588 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.46 -176.02 16.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.859 HG13 ' HB2' ' A' ' 40' ' ' CYS . 11.3 p -112.78 164.18 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.534 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.6 98.17 6.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.789 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.34 -158.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.536 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.22 139.97 30.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.837 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 3.9 ptmt -73.78 6.96 2.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.1 t70 -133.73 21.21 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.5 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -51.51 -111.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.77 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.38 -63.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 0.0 111.63 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.77 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -125.3 35.68 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.929 -179.293 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.649 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 37.8 t -108.24 77.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.796 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.866 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -22.96 123.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.202 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.897 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.29 144.62 29.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.826 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.97 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 20.6 mt -101.42 81.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -41.01 -67.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 110.791 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt -29.71 -48.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.68 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.05 149.03 23.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -107.7 179.62 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.868 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.15 -147.3 0.33 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.037 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.412 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -146.56 -9.7 0.48 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.251 0.548 . . . . 0.0 110.534 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.585 ' HB2' ' HG3' ' A' ' 37' ' ' GLN . 8.2 m120 -89.53 -19.3 25.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.821 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.5 t0 87.57 -27.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.345 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.749 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -110.8 -6.32 26.66 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.938 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.868 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 19.5 mt-30 -107.77 152.36 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.623 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.837 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.3 -177.47 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.97 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 4.2 t -89.15 151.65 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.866 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 1.1 m -140.4 148.73 41.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.501 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.754 ' HD2' ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.42 54.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.758 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.789 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.62 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.86 0.362 . . . . 0.0 111.068 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.925 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.9 t -81.45 -53.08 6.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -26.86 68.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.62 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 40.1 t -69.08 -22.77 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.925 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.3 pt -99.78 0.3 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.852 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.725 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 27.9 t30 81.19 42.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.742 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.591 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -117.21 -173.41 16.53 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.277 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.973 HG13 ' HB3' ' A' ' 40' ' ' CYS . 5.7 p -117.73 163.64 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 37' ' ' GLN . 47.0 t -119.88 103.11 9.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.982 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 5.7 mtt-85 -113.49 -157.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.598 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.09 135.13 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.982 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.1 -2.84 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.384 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.37 25.58 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.433 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.598 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -44.92 -108.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.801 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.22 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 111.561 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.801 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.87 27.6 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.097 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.982 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 4.3 t -100.77 68.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.743 ' HB3' ' CZ ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -19.27 129.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 1.019 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 5.3 tt0 -100.55 153.7 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.113 HG22 ' H ' ' A' ' 30' ' ' ALA . 38.6 mt -99.67 87.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.13 13.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.616 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.728 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.6 mt -117.61 -43.71 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.843 0.354 . . . . 0.0 111.412 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.113 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.85 145.16 28.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.772 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -99.41 -179.01 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.896 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.06 -138.72 0.31 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.917 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.471 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -160.4 -8.28 0.05 Allowed 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.197 0.522 . . . . 0.0 110.37 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.754 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 21.3 m-80 -89.92 -20.03 23.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.895 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.754 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.6 m-20 89.64 -24.75 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.63 -0.16 21.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.821 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt-30 -115.58 158.68 22.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.781 0.325 . . . . 0.0 110.976 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 1.019 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -121.44 -179.68 4.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.834 ' SG ' HD12 ' A' ' 27' ' ' ILE . 6.5 t -90.01 148.2 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.307 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.973 ' HB3' HG13 ' A' ' 15' ' ' VAL . 49.9 t -137.04 152.98 50.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.353 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.743 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.3 mtm180 -72.59 52.18 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 0.0 110.704 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.902 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 1.069 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.101 0.477 . . . . 0.0 110.786 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.9 ' O ' HG13 ' A' ' 12' ' ' ILE . 31.8 t -98.88 -43.06 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.007 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -20.09 62.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.9 HG13 ' O ' ' A' ' 9' ' ' CYS . 5.9 pt -99.91 -1.38 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.066 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.634 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 27.8 t-20 80.53 36.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.619 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.741 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -116.03 -159.2 11.81 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.385 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.999 HG21 ' NH2' ' A' ' 17' ' ' ARG . 7.5 p -127.45 164.22 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 111.188 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.609 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -124.12 104.63 8.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.999 ' NH2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -113.61 -152.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.488 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.1 OUTLIER -90.49 146.05 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.95 0.405 . . . . 0.0 110.814 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.915 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.07 -4.51 13.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.703 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -126.49 26.12 6.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.748 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.597 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.68 -108.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.807 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.89 -64.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.49 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.807 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -130.46 33.42 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.977 -179.267 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.646 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.3 t -107.11 65.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 1.127 ' HB3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.09 131.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.761 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.909 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -99.96 156.05 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.141 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.977 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 mt -111.46 83.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.24 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.207 0.527 . . . . 0.0 110.9 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -26.34 -44.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.88 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.069 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.82 162.21 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.487 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.6 m-20 -125.47 179.34 5.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.033 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.01 -156.98 0.57 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.143 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.545 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -139.01 -6.46 1.43 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -179.397 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -88.9 -118.51 0.05 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.774 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.17 -31.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.62 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.742 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -125.87 14.52 7.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.984 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.678 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 2.0 mt-30 -109.0 142.76 39.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.915 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.97 -173.46 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.679 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.977 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 21.5 t -91.3 148.93 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.24 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.943 ' HB3' HG13 ' A' ' 15' ' ' VAL . 42.6 t -140.59 152.33 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.54 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 1.127 ' HD2' ' HB3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -72.7 52.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.728 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.816 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 1.052 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.933 ' O ' HG13 ' A' ' 12' ' ' ILE . 51.9 t -96.07 -45.12 7.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.724 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -30.39 71.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.9 t -69.47 -16.71 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.036 ' CD1' HG21 ' A' ' 27' ' ' ILE . 4.3 pt -106.29 0.63 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 49.1 t-20 80.95 41.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.669 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -122.88 -164.16 12.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.443 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.903 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -125.55 165.76 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.594 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -114.86 100.31 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.866 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.71 -163.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.772 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.571 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.24 141.81 28.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.914 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.856 ' HG2' ' O ' ' A' ' 36' ' ' GLY . 14.9 pttt -74.84 4.02 7.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.23 24.34 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.51 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -56.11 -107.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.777 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -173.09 -63.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.498 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.777 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.08 27.8 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.685 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -92.7 84.97 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.898 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -30.89 121.92 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.921 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -99.77 148.07 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.036 HG21 ' CD1' ' A' ' 12' ' ' ILE . 11.1 mt -105.6 81.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.491 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.34 -70.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.227 0.537 . . . . 0.0 110.691 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 28' ' ' PHE . 3.9 mt -26.34 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.695 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.052 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.62 161.82 13.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.711 ' O ' ' N ' ' A' ' 9' ' ' CYS . 24.6 m-20 -118.67 175.03 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.982 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.616 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -99.15 -146.89 0.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.258 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.667 ' CG ' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -147.29 -8.27 0.45 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.183 0.516 . . . . 0.0 110.684 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.701 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.2 m-80 -89.12 -18.36 27.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.822 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.701 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.5 m-20 83.87 -22.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.856 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -115.5 -5.26 19.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.052 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.866 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 23.8 mt-30 -107.99 161.47 14.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.781 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.53 -178.8 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.685 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.921 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 24.7 t -89.62 153.54 20.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.903 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.6 t -140.12 151.44 45.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.554 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -70.39 61.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.792 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.855 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.966 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.825 ' HB3' ' HE1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.919 ' O ' HG13 ' A' ' 12' ' ' ILE . 42.5 t -85.44 -50.17 7.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -30.65 70.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.8 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 22.8 t -68.73 -23.19 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.017 ' CD1' HG21 ' A' ' 27' ' ' ILE . 5.1 pt -99.93 0.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.761 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 8.9 t-20 81.12 50.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.801 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.793 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -131.07 -176.84 14.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.298 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.805 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -115.03 164.16 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 111.308 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -116.91 99.84 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -107.57 -156.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.1 OUTLIER -90.44 135.29 33.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.918 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -63.03 -0.51 0.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.408 179.648 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.549 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t70 -128.79 26.17 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.627 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -48.57 -112.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.81 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.99 -64.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.46 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -127.68 28.92 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.877 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.62 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -102.68 67.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.763 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.856 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -16.82 131.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.894 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -102.69 151.38 22.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.017 HG21 ' CD1' ' A' ' 12' ' ' ILE . 10.0 mt -106.86 82.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -39.11 -71.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.168 0.509 . . . . 0.0 110.774 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' C ' ' O ' ' A' ' 28' ' ' PHE . 2.5 mt -23.27 -49.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.649 ' HB2' HD13 ' A' ' 12' ' ' ILE . . . -99.09 160.64 14.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.694 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -119.27 -176.58 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.704 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.765 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -99.22 -150.8 0.38 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.204 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.825 ' HE1' ' HB3' ' A' ' 8' ' ' ASP . 2.5 m-85 -146.15 -6.98 0.55 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.337 0.589 . . . . 0.0 110.418 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -89.25 -114.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.772 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -152.9 -32.53 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.412 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -125.2 13.02 7.53 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.865 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.765 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 1.7 mm100 -106.84 143.53 34.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 111.051 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.918 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -124.01 -173.72 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.605 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.902 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 11.7 t -89.67 148.49 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.856 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 53.9 t -140.52 155.49 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.601 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 2.8 mtm180 -73.05 46.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.419 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.793 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.742 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 120.821 0.344 . . . . 0.0 111.106 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.044 ' CA ' HD11 ' A' ' 12' ' ' ILE . 36.1 t -112.47 -48.51 3.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.835 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.38 -27.27 63.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.416 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.56 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -74.4 0.5 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 110.633 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.044 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.68 5.02 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.63 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 51.3 t30 80.82 38.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.715 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' CD ' ' A' ' 42' ' ' LYS . . . -123.43 173.0 16.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.298 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.915 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.6 p -105.37 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.756 0.312 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -119.94 101.81 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.715 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -113.0 -152.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.758 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -88.47 142.71 27.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 -179.767 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.856 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.93 0.91 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.566 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -129.9 28.58 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.692 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.49 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.91 -110.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.785 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.19 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.429 . . . . 0.0 111.606 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.785 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -127.38 28.81 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.374 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -98.6 74.26 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.855 ' HD3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -26.38 127.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.928 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.68 154.17 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.051 HG22 ' H ' ' A' ' 30' ' ' ALA . 40.2 mt -99.83 95.72 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.642 ' CD2' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.0 19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.691 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.1 mt -126.32 -38.52 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 111.351 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.051 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.05 134.11 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' CYS . 2.9 m-20 -101.98 173.15 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.855 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -99.37 -158.72 0.69 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.197 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.416 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 3.4 m-85 -139.55 -7.28 1.3 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.413 0.625 . . . . 0.0 110.299 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.807 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.7 m-80 -89.38 -19.27 25.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.822 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.807 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER 88.01 -21.46 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.509 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.813 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -118.21 -2.47 15.77 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.254 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.855 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 4.0 mt-30 -106.15 148.96 27.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.728 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.857 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -119.02 178.22 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.928 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 1.8 t -89.62 148.35 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.499 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.915 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 12.0 t -140.29 143.75 36.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.855 ' HD2' ' HD3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -61.82 70.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.728 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.12 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.911 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.025 0.44 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.86 ' O ' HG13 ' A' ' 12' ' ' ILE . 50.4 t -101.42 -43.17 6.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.737 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -30.35 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.332 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 m -74.21 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.86 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -109.84 0.85 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.035 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.744 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 3.4 t-20 80.16 36.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.766 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.799 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.36 -175.15 15.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.395 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.907 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.7 p -111.52 164.86 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.599 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -126.43 105.97 9.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.221 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.757 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -118.08 -155.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.782 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.489 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -90.16 146.21 24.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.868 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -72.43 15.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.743 179.765 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.589 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.25 18.96 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -41.63 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.579 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.96 -64.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.83 35.7 4.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.08 -179.239 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.8 t -110.47 74.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.81 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -24.03 131.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.901 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.03 150.36 22.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.055 HG22 ' H ' ' A' ' 30' ' ' ALA . 36.8 mt -100.07 93.72 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.76 24.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.403 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.66 ' H ' ' C ' ' A' ' 27' ' ' ILE . 7.3 mt -130.28 -37.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 111.248 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.055 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.34 141.15 32.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 m-20 -103.27 170.66 7.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.618 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 1.2 m -98.97 -148.18 0.34 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.107 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.504 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -144.21 -10.22 0.66 Allowed 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.236 0.541 . . . . 0.0 110.727 -179.649 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 7.3 m120 -89.44 -19.81 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 11.3 t0 86.43 -20.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.613 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.773 ' C ' ' HD3' ' A' ' 19' ' ' LYS . . . -115.92 -3.78 19.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.371 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.757 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 11.8 mt-30 -107.03 146.82 30.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.361 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.868 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.0 174.64 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.901 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.0 t -89.73 151.14 21.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.907 ' HB3' HG13 ' A' ' 15' ' ' VAL . 49.2 t -140.09 149.41 43.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.484 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.523 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -71.08 58.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.779 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.891 ' CD ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 120.86 0.362 . . . . 0.0 111.076 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.912 ' O ' HG13 ' A' ' 12' ' ' ILE . 46.2 t -72.15 -49.1 38.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.08 -33.67 73.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.274 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.46 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 6.0 t -65.38 -22.73 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.182 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.912 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.0 pt -99.94 1.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 0.0 111.283 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.691 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 28.2 t-20 81.27 41.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.716 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.702 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -122.56 175.76 16.47 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.165 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.852 HG13 ' HB2' ' A' ' 40' ' ' CYS . 13.2 p -109.42 166.49 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.238 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.823 ' SG ' ' HB2' ' A' ' 37' ' ' GLN . 50.1 t -118.06 101.26 8.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.83 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -112.85 -157.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -88.76 134.97 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.799 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.829 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -68.99 10.45 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -139.89 25.99 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.564 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -49.22 -104.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.643 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.797 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.53 -64.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.797 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -127.01 21.96 6.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.774 -179.323 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 18.1 t -94.35 94.56 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.761 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 1.11 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 10.8 mtt85 -41.9 128.87 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.887 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 10.5 tt0 -99.92 150.75 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.906 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 12.1 mt -107.97 83.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -42.19 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 110.566 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.2 mt -29.22 -47.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 9' ' ' CYS . . . -99.33 146.38 26.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.082 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 1.1 m-20 -108.97 -175.27 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.794 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.05 -141.88 0.32 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.921 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.47 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -161.33 -5.29 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.359 0.599 . . . . 0.0 110.304 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.854 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 5.8 m120 -89.63 -19.29 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.854 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 1.1 m-20 89.71 -19.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.64 2.47 9.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.83 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 14.2 mt-30 -118.04 159.44 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.829 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -123.22 -172.47 2.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.906 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 6.2 t -89.59 148.02 23.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.852 ' HB2' HG13 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -137.43 150.64 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.443 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 1.11 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.8 45.67 0.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.612 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.702 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.623 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.827 0.346 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.859 ' O ' HG13 ' A' ' 12' ' ' ILE . 30.0 t -66.97 -50.7 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -30.71 71.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.623 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -72.33 -11.01 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.389 . . . . 0.0 110.9 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.859 HG13 ' O ' ' A' ' 9' ' ' CYS . 1.1 pp -108.77 3.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.559 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 60.4 t30 80.91 37.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.991 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.866 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -120.99 170.74 14.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.098 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.953 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 7.6 p -103.18 158.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -113.32 97.57 6.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 111.281 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.855 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 5.3 tpp180 -105.19 -172.64 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.369 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.855 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -78.64 129.64 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 110.684 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 1.023 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -57.63 7.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.697 ' H ' ' C ' ' A' ' 18' ' ' HIS . 1.1 t0 -138.24 21.62 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.331 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.583 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.7 m -43.78 -109.45 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.809 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.23 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.693 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.809 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -128.05 36.52 4.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.065 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.625 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.0 t -110.94 69.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.807 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -16.66 131.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.927 ' HB2' ' HD3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -102.96 155.35 18.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.098 HG22 ' H ' ' A' ' 30' ' ' ALA . 50.2 mt -102.03 87.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.64 14.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.591 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.731 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -118.14 -43.28 2.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.098 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.45 138.84 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -97.08 173.37 7.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.798 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.31 -145.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.688 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.499 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.4 OUTLIER -147.94 -9.84 0.39 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.186 0.517 . . . . 0.0 110.803 -179.404 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 21.0 m-80 -89.18 -18.15 27.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.057 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.8 t0 82.35 -21.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.348 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 19' ' ' LYS . . . -113.13 -8.2 20.2 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.984 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.844 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 4.9 mt-30 -111.61 146.8 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 1.023 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.73 -177.31 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.895 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.4 t -89.78 149.97 22.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.756 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.923 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 49.0 t -136.82 151.58 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.624 ' O ' ' O ' ' A' ' 42' ' ' LYS . 1.4 mtm180 -69.87 61.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.953 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.78 ' OD2' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 120.794 0.331 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.898 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.7 t -65.87 -48.27 72.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.22 -32.46 71.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.058 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.78 ' HB3' ' OD2' ' A' ' 8' ' ' ASP . 91.9 p -68.52 -22.48 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.901 ' CD1' HG21 ' A' ' 27' ' ' ILE . 4.6 pt -99.68 -1.72 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 24.7 t30 81.14 44.75 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.154 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.67 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.55 -163.78 12.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.199 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.883 ' HB ' ' CE ' ' A' ' 42' ' ' LYS . 14.3 p -125.64 161.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 111.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.68 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -121.53 103.0 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.102 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.958 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 7.1 tpp85 -111.51 -151.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.958 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 136.58 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.953 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -60.48 2.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.549 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' A' ' 21' ' ' THR . 2.4 t0 -134.3 24.34 3.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.461 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.772 HG23 ' HG2' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -40.31 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.551 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.809 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.43 -65.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.491 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.809 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -132.1 29.79 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.909 -179.347 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.644 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.3 t -100.54 69.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 1.036 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.65 130.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.884 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -100.2 144.73 28.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.065 -179.829 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.024 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 mt -102.63 86.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.487 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.32 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.155 0.502 . . . . 0.0 110.875 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -26.41 -44.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.941 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.597 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -98.96 153.92 18.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.945 0.403 . . . . 0.0 111.53 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.99 -179.17 3.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.635 ' SG ' ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.44 -145.42 0.33 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.172 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.533 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 m-85 -151.55 -9.13 0.22 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.357 0.599 . . . . 0.0 110.378 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.485 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 8.7 m120 -89.74 -131.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.791 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.485 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 m-20 -138.64 -18.35 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.29 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.771 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -135.57 13.83 4.23 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.984 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.79 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 1.7 mt-30 -109.56 145.72 35.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.953 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -128.95 -175.61 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.687 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.024 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 24.8 t -89.82 147.31 23.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.026 0.441 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.905 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 18.6 t -140.59 155.61 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 1.036 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -74.11 49.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 110.715 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.883 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.858 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 110.641 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.048 ' CA ' HD11 ' A' ' 12' ' ' ILE . 53.2 t -116.43 -43.7 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.835 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -27.29 64.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.445 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.478 ' N ' HD13 ' A' ' 12' ' ' ILE . 40.2 t -73.74 -0.93 17.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.04 0.448 . . . . 0.0 110.407 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.048 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -124.46 2.04 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.726 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.89 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 33.4 t-20 80.86 46.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.872 ' N ' ' HE2' ' A' ' 42' ' ' LYS . . . -129.14 -175.23 13.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.247 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.898 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.8 p -115.44 158.94 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -110.98 92.54 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.853 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 3.5 mmt180 -103.88 -154.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.45 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -90.27 154.8 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.009 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 1.039 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -83.25 -0.98 51.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.188 179.37 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -131.05 28.36 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.274 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.501 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.71 -113.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.831 -179.76 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.787 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.538 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.787 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -127.67 34.57 4.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.884 -179.332 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.0 t -108.61 68.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.891 ' HB2' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -13.68 132.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.766 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.64 151.86 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.795 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.944 ' CG2' ' HB3' ' A' ' 30' ' ' ALA . 9.9 mt -114.65 85.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -43.92 -68.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 110.533 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -33.95 -43.6 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.421 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.944 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -99.03 149.67 22.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.236 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.672 ' O ' ' N ' ' A' ' 9' ' ' CYS . 5.7 m-20 -117.34 -177.59 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.812 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -99.09 -164.48 1.13 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.865 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.679 ' CD2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -137.26 -5.07 1.85 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.574 0.702 . . . . 0.0 109.945 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.599 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 10.9 m120 -89.65 -23.41 21.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.8 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 18.7 t0 92.69 -28.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.714 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.799 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -114.04 -1.25 23.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.392 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.853 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 40.6 mt-30 -109.76 160.43 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 1.039 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.5 179.91 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.82 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 10.7 t -89.83 148.86 22.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.898 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -140.17 151.28 45.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.891 ' HG3' ' HB2' ' A' ' 25' ' ' ARG . 84.7 mtt180 -71.71 61.25 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.89 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 1.6 mptp? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.907 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.803 0.335 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.03 ' CA ' HD11 ' A' ' 12' ' ' ILE . 9.0 t -109.68 -49.51 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -27.79 65.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.658 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.841 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 20.1 m -74.67 1.02 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.659 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.03 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -123.61 4.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 22.1 t30 80.77 41.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.948 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.754 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -121.86 167.32 14.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.21 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.029 HG12 ' O ' ' A' ' 40' ' ' CYS . 11.7 p -103.9 154.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.545 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -106.26 83.5 1.9 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.745 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -101.4 -160.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.741 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.481 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.1 OUTLIER -90.23 140.65 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.938 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -70.3 7.53 1.0 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -134.74 21.89 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -47.79 -109.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.727 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.818 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.32 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.46 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.818 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.14 36.17 4.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.834 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.619 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.6 t -104.62 70.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.763 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.903 ' HD3' ' H ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -17.13 125.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.781 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.846 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.0 154.37 18.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.102 HG22 ' H ' ' A' ' 30' ' ' ALA . 23.5 mt -104.18 87.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.71 18.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.244 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.706 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -120.8 -40.27 2.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.008 0.432 . . . . 0.0 111.471 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.102 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.02 149.45 22.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.27 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 9' ' ' CYS . 41.0 m-20 -105.95 170.01 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.708 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.14 -149.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.361 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 m-85 -143.96 -9.31 0.7 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.244 0.545 . . . . 0.0 110.699 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.776 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 25.0 m-80 -89.05 -19.61 25.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.037 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.776 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 84.18 -19.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.524 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.591 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -119.66 -2.55 12.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.225 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.745 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 2.5 mt-30 -111.43 149.93 30.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.65 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.938 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.76 178.95 4.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.111 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.942 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -89.78 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.066 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 1.029 ' O ' HG12 ' A' ' 15' ' ' VAL . 6.4 t -140.93 122.74 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.651 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -37.88 80.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.816 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.708 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.899 0.38 . . . . 0.0 111.093 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.887 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.9 t -100.22 -47.8 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -29.21 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.503 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.39 -9.37 58.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.633 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.887 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -109.96 3.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.13 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.618 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 63.3 t-20 80.73 36.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.852 ' CA ' ' HE3' ' A' ' 42' ' ' LYS . . . -117.56 -168.35 14.55 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.045 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.024 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.4 p -123.21 158.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.329 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.527 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -115.14 101.83 9.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.317 -179.69 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.759 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -114.93 -157.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.637 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.759 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.35 150.45 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 1.003 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.67 -3.51 31.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -126.76 26.02 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.691 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.536 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.5 m -48.14 -111.08 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.788 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -64.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.815 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.788 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.09 19.97 6.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.298 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.618 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.2 t -93.07 59.38 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.717 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.786 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 1.5 ttm180 -11.84 131.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.893 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.35 153.85 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.676 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.047 HG22 ' H ' ' A' ' 30' ' ' ALA . 27.5 mt -100.0 90.6 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.179 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.55 12.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.376 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.737 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.8 mt -115.69 -44.06 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.916 0.389 . . . . 0.0 111.441 -179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.047 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.6 161.31 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.146 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.2 m-20 -123.3 -178.5 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.859 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -99.57 -148.51 0.35 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.382 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.646 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 5.0 m-85 -147.36 -9.88 0.43 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 6.5 m120 -89.58 -19.49 24.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.158 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.7 OUTLIER 87.17 -18.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -116.32 -5.57 16.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.264 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.859 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.8 mt-30 -109.1 149.9 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 1.003 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.22 179.93 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.893 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.7 t -89.74 147.55 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 1.024 ' HB3' HG13 ' A' ' 15' ' ' VAL . 44.0 t -140.14 147.69 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -72.06 55.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.926 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.881 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 120.801 0.334 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.934 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.0 t -102.07 -48.28 4.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -32.99 72.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.344 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.499 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 41.3 t -69.38 -20.43 63.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.116 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.934 HG13 ' O ' ' A' ' 9' ' ' CYS . 4.7 pt -100.16 1.32 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 21.8 t-20 81.11 42.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.682 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.516 ' HA2' ' HD3' ' A' ' 42' ' ' LYS . . . -124.26 174.03 16.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.343 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.854 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 7.4 p -110.17 153.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 111.318 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.41 95.2 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.866 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -110.84 -161.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -87.81 136.36 32.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.847 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.37 2.81 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.791 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.8 t0 -131.2 23.52 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.709 HG21 ' HD2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -46.59 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.768 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.07 -64.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.808 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.35 39.49 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.867 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.9 t -110.36 67.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.891 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -16.13 132.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.902 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 tt0 -103.32 145.92 29.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.859 HG22 ' O ' ' A' ' 27' ' ' ILE . 7.7 mt -101.69 82.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.81 -72.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.255 0.55 . . . . 0.0 110.87 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.2 mt -22.49 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.035 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.881 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.76 -179.38 4.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.65 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.91 179.28 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.036 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.778 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.32 -145.6 0.33 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.307 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.5 ' HE2' ' HB3' ' A' ' 8' ' ' ASP . 3.1 m-85 -149.7 -8.86 0.31 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.277 0.561 . . . . 0.0 110.519 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.639 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 7.9 m120 -89.34 -19.44 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.105 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.639 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 86.49 -22.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.174 -179.487 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.616 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -115.86 -5.46 17.93 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.02 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.866 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 46.4 mt-30 -109.24 156.39 19.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.749 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.847 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.81 179.9 4.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.902 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 9.9 t -89.18 151.48 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.891 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 34.4 t -139.64 153.58 47.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.372 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.717 ' HD2' ' HG3' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -69.93 36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.047 0.451 . . . . 0.0 110.642 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.599 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.009 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.965 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.939 0.399 . . . . 0.0 110.628 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.074 ' CA ' HD11 ' A' ' 12' ' ' ILE . 48.7 t -113.25 -44.17 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.651 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -24.95 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.457 ' N ' HD13 ' A' ' 12' ' ' ILE . 29.1 p -72.94 -3.09 23.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.136 0.493 . . . . 0.0 110.297 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.074 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.83 -0.23 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.915 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.763 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 45.0 t30 80.52 38.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.635 ' CA ' ' HE2' ' A' ' 42' ' ' LYS . . . -114.78 -169.87 16.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.451 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.868 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 8.0 p -120.78 151.56 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.13 95.33 5.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.602 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -113.11 -165.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -83.4 136.91 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.879 ' HE2' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -62.06 -2.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.615 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -129.14 25.45 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.798 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.966 HG23 ' H ' ' A' ' 22' ' ' VAL . 2.5 t -46.2 -98.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.966 ' H ' HG23 ' A' ' 21' ' ' THR . 0.5 OUTLIER -175.93 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.691 -179.763 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.789 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.7 25.2 4.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 -179.285 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.3 t -96.23 73.04 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.931 ' HD3' ' H ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -20.29 135.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.874 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.8 tt0 -100.55 151.77 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 33.2 mt -112.05 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.42 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -45.09 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.308 0.575 . . . . 0.0 110.509 179.562 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mp -34.98 -41.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.835 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.34 154.47 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.738 ' O ' ' N ' ' A' ' 9' ' ' CYS . 73.4 m-20 -122.26 174.3 7.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.219 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.857 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.59 -149.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.67 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -145.99 -8.76 0.54 Allowed 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.238 0.542 . . . . 0.0 110.645 -179.467 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 22.7 m-80 -89.35 -19.07 25.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER 86.42 -26.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.879 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -112.22 -4.64 25.45 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.307 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.857 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 19.5 mt-30 -111.63 146.02 38.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.3 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.841 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -112.95 179.91 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.874 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 7.2 t -89.72 153.03 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.92 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 4.1 t -140.67 151.28 44.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.641 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.15 51.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.95 0.405 . . . . 0.0 110.604 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.763 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.642 ' OD1' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 120.811 0.339 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.882 ' O ' HG13 ' A' ' 12' ' ' ILE . 27.3 t -77.8 -51.53 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.384 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -27.27 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.468 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.642 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.02 -8.8 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.388 . . . . 0.0 110.721 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.882 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -111.93 4.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.148 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.65 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 29.0 t-20 80.78 32.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.598 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -110.93 172.41 15.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.031 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.9 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.7 p -107.5 151.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.79 97.26 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.98 0.419 . . . . 0.0 111.201 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.767 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 1.7 ttm180 -110.79 -161.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.825 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -86.26 142.19 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.774 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.854 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.44 4.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.223 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -134.34 23.01 3.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.648 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.559 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.09 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.766 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.05 -60.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.343 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.766 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -133.87 37.64 3.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.944 -179.338 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.609 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.6 t -110.91 70.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 1.044 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -18.47 130.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.792 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.896 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -100.51 146.12 27.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.963 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 11.7 mt -100.84 81.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.03 -67.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.499 . . . . 0.0 110.793 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.9 mt -34.37 -45.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.861 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.768 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -98.7 142.77 29.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.602 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.0 m-20 -101.37 178.61 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.815 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.49 -144.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.057 179.371 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.45 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -152.0 -7.93 0.21 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.238 0.542 . . . . 0.0 110.507 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 7.4 m120 -89.34 -19.6 25.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.114 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 9.0 t0 89.32 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.432 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.561 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -112.04 3.92 27.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.281 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.815 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.6 mt-30 -117.57 150.64 38.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.854 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.21 -179.84 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.963 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 3.1 t -89.88 153.53 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.449 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.9 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -141.35 150.2 42.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.283 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 1.044 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -68.87 65.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 110.782 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.758 ' HE2' ' CA ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 1.074 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.674 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.9 t -102.96 -42.63 5.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.771 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.72 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.286 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -15.98 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.863 HD13 ' HB2' ' A' ' 30' ' ' ALA . 6.8 pt -108.06 -1.31 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.146 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 2.1 t30 80.77 37.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.008 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.903 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -112.91 -162.49 15.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.127 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.975 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 14.7 p -124.9 160.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.489 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -121.75 104.52 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.923 ' NH2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -112.62 -155.24 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.749 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.674 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.24 137.93 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.873 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -59.25 -6.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.677 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.603 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.3 OUTLIER -124.41 25.75 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.603 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.9 m -43.07 -109.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.774 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.821 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.34 -65.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.534 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.821 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.91 38.57 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.975 -179.315 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.624 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -111.42 70.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.848 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -16.73 130.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.926 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -100.73 148.24 25.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.014 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 9.4 mt -100.65 85.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.26 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.61 -71.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.154 0.502 . . . . 0.0 110.94 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' PHE . 2.0 mt -31.08 -41.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.877 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.074 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.95 165.26 11.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.472 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 9' ' ' CYS . 10.8 m-20 -127.27 -179.25 4.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.529 ' C ' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -99.2 -171.29 2.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.847 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -126.35 -5.14 6.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.356 0.598 . . . . 0.0 110.715 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.45 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 23.8 m-80 -88.88 -122.0 0.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.777 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -143.25 -44.71 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.18 21.7 10.77 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.224 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.725 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 3.4 mt-30 -111.4 155.39 23.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 111.039 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.926 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -128.99 -178.8 4.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.701 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.014 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 44.0 t -89.99 149.17 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.888 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 41.3 t -140.51 153.52 46.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.728 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.6 51.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.798 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.975 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.797 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.636 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.063 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 40.5 t -115.69 -43.92 2.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.63 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.08 -26.86 63.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.514 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.52 -3.08 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.132 0.491 . . . . 0.0 110.577 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.899 HG12 ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -120.96 1.46 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.889 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.615 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 51.2 t30 80.39 44.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.583 ' C ' ' HE2' ' A' ' 42' ' ' LYS . . . -125.89 174.27 17.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.448 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.976 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.6 p -104.98 160.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.557 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -121.19 103.07 8.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.68 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.87 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -116.28 -153.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.492 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -90.16 139.22 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 1.05 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -62.54 1.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.758 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.595 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -133.56 19.97 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.471 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.595 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER -34.22 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.827 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -179.62 -65.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.55 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.827 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.3 27.42 5.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.904 -179.278 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.3 t -102.76 76.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.937 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 1.2 mtt180 -24.82 134.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.769 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.31 149.63 24.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.979 HD12 ' SG ' ' A' ' 39' ' ' CYS . 48.7 mt -100.43 96.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.71 28.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.634 ' H ' ' C ' ' A' ' 27' ' ' ILE . 3.4 mt -137.84 -33.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.965 0.412 . . . . 0.0 111.516 -178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.063 ' HB1' ' HA ' ' A' ' 9' ' ' CYS . . . -99.3 136.18 39.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.373 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.722 ' O ' ' N ' ' A' ' 9' ' ' CYS . 95.4 m-20 -97.15 167.69 10.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.551 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 0.8 OUTLIER -99.6 -149.75 0.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.279 179.722 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.511 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -146.77 -8.87 0.47 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.332 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.862 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 26.9 m-80 -89.66 -20.44 23.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.951 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.862 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.6 OUTLIER 86.42 -28.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 -179.698 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -109.94 -1.92 30.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.272 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.87 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 13.0 mt-30 -109.29 161.14 15.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.832 0.349 . . . . 0.0 110.693 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 1.05 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -126.05 178.97 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.979 ' SG ' HD12 ' A' ' 27' ' ' ILE . 6.2 t -89.87 151.12 21.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.976 ' HB3' HG13 ' A' ' 15' ' ' VAL . 35.3 t -140.08 157.2 46.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.937 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 9.4 mtt-85 -74.72 51.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.915 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 p90 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -141.5 -179.09 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.635 ' H ' HG22 ' A' ' 2' ' ' VAL . 1.5 mm-40 -103.7 -174.3 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.007 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 69.77 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.746 ' HG3' ' NH1' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -109.2 120.53 45.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 5' ' ' ARG . 70.7 Cg_exo -50.64 -115.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.782 2.321 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.872 ' HG2' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -117.13 145.26 43.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.742 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -94.42 -144.14 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.108 ' CA ' HD11 ' A' ' 12' ' ' ILE . 49.8 t -114.64 -43.22 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -28.06 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.186 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -74.49 -0.07 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.108 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -123.1 2.01 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.026 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.75 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 5.3 t-20 80.42 37.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.677 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.719 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.76 -170.69 14.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.515 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.892 HG13 ' HB3' ' A' ' 40' ' ' CYS . 8.3 p -121.25 161.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -115.32 100.96 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.741 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -112.42 -161.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.602 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.3 OUTLIER -89.83 138.05 31.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.829 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.65 -2.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -127.18 22.73 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.602 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -44.52 -105.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.797 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.29 -65.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.505 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.797 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.26 23.52 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.032 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.642 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -91.35 62.39 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.804 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.971 ' HB3' ' HE ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -10.77 128.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.958 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.874 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -99.55 149.44 23.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.775 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.062 HG22 ' H ' ' A' ' 30' ' ' ALA . 48.1 mt -99.97 94.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.305 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 21.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.683 ' H ' ' C ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -130.53 -35.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.423 -179.008 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.062 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.03 137.59 37.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.966 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.721 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -101.31 172.19 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.595 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -99.62 -147.56 0.34 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.38 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CD1' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -149.23 -9.74 0.32 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.231 -179.586 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.638 ' O ' ' HB3' ' A' ' 35' ' ' ASP . 28.9 m-80 -89.9 -21.17 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.221 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.638 ' HB3' ' O ' ' A' ' 34' ' ' ASN . 10.2 t70 88.78 -25.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.563 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.776 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -111.1 -5.58 26.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.29 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.741 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 6.1 mt-30 -105.98 162.12 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.928 0.394 . . . . 0.0 110.826 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.874 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -127.39 179.2 5.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.945 ' SG ' HD12 ' A' ' 27' ' ' ILE . 7.7 t -89.32 148.86 23.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HB3' HG13 ' A' ' 15' ' ' VAL . 39.6 t -139.91 149.8 43.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.971 ' HE ' ' HB3' ' A' ' 25' ' ' ARG . 6.7 mtm180 -70.98 58.52 0.22 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.779 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.719 ' HE3' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.466 ' HB3' ' H ' ' A' ' 2' ' ' VAL . 2.7 m-30 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.629 ' O ' HG22 ' A' ' 2' ' ' VAL . 13.8 p -126.5 35.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.537 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 37.06 -165.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -108.69 -27.55 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.636 ' HG3' ' HD2' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -119.82 162.82 31.06 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.429 . . . . 0.0 111.04 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.636 ' HD2' ' HG3' ' A' ' 5' ' ' ARG . 43.3 Cg_endo -67.89 -114.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.811 2.341 . . . . 0.0 112.19 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.821 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -111.13 133.27 53.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.801 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.798 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -69.81 174.91 4.69 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.16 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.909 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.0 t -95.06 -48.89 5.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -32.47 70.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.671 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -70.15 -21.32 63.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.854 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.909 HG13 ' O ' ' A' ' 9' ' ' CYS . 6.2 pt -99.71 -2.08 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.744 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 49.7 t30 80.37 42.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.65 -168.97 14.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.833 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.9 p -121.54 154.1 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -110.74 97.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -111.36 -155.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.759 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 139.61 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.889 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.31 -0.58 1.31 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.59 ' O ' ' O ' ' A' ' 21' ' ' THR . 5.5 t0 -129.2 23.59 5.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.59 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.55 -107.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.815 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.11 -65.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.764 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.815 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -128.07 26.66 5.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.059 -179.063 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 25' ' ' ARG . 3.8 t -100.61 67.07 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.877 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 27.7 mtt85 -16.6 136.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.947 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 2.9 tt0 -105.17 148.41 26.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.836 HG21 ' CD1' ' A' ' 12' ' ' ILE . 8.1 mt -103.41 84.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -40.07 -73.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.065 0.46 . . . . 0.0 110.816 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.727 ' HB3' HH11 ' A' ' 7' ' ' ARG . 1.3 mt -23.44 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.614 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.821 ' HA ' ' O ' ' A' ' 7' ' ' ARG . . . -99.33 166.54 11.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' ARG . 93.2 m-20 -126.6 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.55 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.79 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.06 -153.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.111 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.671 ' HD1' ' O ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -144.74 -5.31 0.73 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 110.384 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' OD1' ' CD ' ' A' ' 37' ' ' GLN . 6.3 m120 -88.92 -107.94 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.809 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.82 -34.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.247 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -124.81 15.8 7.43 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.793 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.79 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 28.1 mt-30 -109.63 145.44 36.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 111.089 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.947 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -122.81 -177.65 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.9 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 13.2 t -89.67 147.54 23.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.149 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.877 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 13.3 t -140.57 152.73 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.498 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.58 54.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.849 0.357 . . . . 0.0 110.729 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.751 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.855 0.36 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.88 145.43 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.21 131.18 34.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 -39.57 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 5' ' ' ARG . 0.7 OUTLIER -135.21 147.09 60.88 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.29 -87.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.719 2.279 . . . . 0.0 112.226 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.526 ' HE ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -149.62 139.02 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.727 ' OD2' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -64.4 154.77 34.6 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.058 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.857 ' O ' HG13 ' A' ' 12' ' ' ILE . 53.5 t -69.53 -47.21 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -31.93 73.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.727 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 32.5 t -73.83 -13.4 60.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.796 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.907 HD11 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -103.43 1.91 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.997 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.69 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 19.6 t-20 79.36 33.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.715 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.588 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.46 -176.02 16.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.859 HG13 ' HB2' ' A' ' 40' ' ' CYS . 11.3 p -112.78 164.18 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.534 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.6 98.17 6.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.789 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.34 -158.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.22 139.97 30.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.837 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 3.9 ptmt -73.78 6.96 2.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.1 t70 -133.73 21.21 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.5 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -51.51 -111.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.77 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.38 -63.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 0.0 111.63 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.77 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -125.3 35.68 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.929 -179.293 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.649 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 37.8 t -108.24 77.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.796 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.866 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -22.96 123.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.202 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.897 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.29 144.62 29.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.826 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.97 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 20.6 mt -101.42 81.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -41.01 -67.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 110.791 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt -29.71 -48.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.68 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.05 149.03 23.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -107.7 179.62 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.868 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.15 -147.3 0.33 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.037 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.412 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -146.56 -9.7 0.48 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.251 0.548 . . . . 0.0 110.534 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.585 ' HB2' ' HG3' ' A' ' 37' ' ' GLN . 8.2 m120 -89.53 -19.3 25.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.821 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.5 t0 87.57 -27.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.345 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.749 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -110.8 -6.32 26.66 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.938 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.868 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 19.5 mt-30 -107.77 152.36 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.623 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.837 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.3 -177.47 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.97 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 4.2 t -89.15 151.65 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.866 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 1.1 m -140.4 148.73 41.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.501 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.754 ' HD2' ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.42 54.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.758 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.789 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.648 ' O ' ' HD1' ' A' ' 1' ' ' PHE . 9.1 p90 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.745 0.307 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.806 ' O ' HG12 ' A' ' 2' ' ' VAL . 82.8 t -125.18 52.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -122.94 126.59 47.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.51 78.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -114.98 117.86 41.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.95 172.85 0.24 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.611 2.207 . . . . 0.0 112.053 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.942 ' CZ ' ' HB3' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -40.05 131.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.62 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.3 157.16 8.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.925 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.9 t -81.45 -53.08 6.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -26.86 68.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.62 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 40.1 t -69.08 -22.77 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.925 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.3 pt -99.78 0.3 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.852 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.725 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 27.9 t30 81.19 42.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.742 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.591 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -117.21 -173.41 16.53 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.277 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.973 HG13 ' HB3' ' A' ' 40' ' ' CYS . 5.7 p -117.73 163.64 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 37' ' ' GLN . 47.0 t -119.88 103.11 9.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.982 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 5.7 mtt-85 -113.49 -157.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.598 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.09 135.13 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.982 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.1 -2.84 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.384 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.37 25.58 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.433 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.598 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -44.92 -108.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.801 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.22 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 111.561 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.801 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.87 27.6 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.097 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.982 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 4.3 t -100.77 68.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.743 ' HB3' ' CZ ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -19.27 129.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 1.019 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 5.3 tt0 -100.55 153.7 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.113 HG22 ' H ' ' A' ' 30' ' ' ALA . 38.6 mt -99.67 87.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.13 13.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.616 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.942 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 2.6 mt -117.61 -43.71 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.843 0.354 . . . . 0.0 111.412 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.113 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.85 145.16 28.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.772 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -99.41 -179.01 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.896 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.06 -138.72 0.31 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.917 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.471 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -160.4 -8.28 0.05 Allowed 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.197 0.522 . . . . 0.0 110.37 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.754 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 21.3 m-80 -89.92 -20.03 23.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.895 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.754 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.6 m-20 89.64 -24.75 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.63 -0.16 21.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.821 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt-30 -115.58 158.68 22.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.781 0.325 . . . . 0.0 110.976 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 1.019 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -121.44 -179.68 4.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.834 ' SG ' HD12 ' A' ' 27' ' ' ILE . 6.5 t -90.01 148.2 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.307 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.973 ' HB3' HG13 ' A' ' 15' ' ' VAL . 49.9 t -137.04 152.98 50.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.353 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.743 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.3 mtm180 -72.59 52.18 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 0.0 110.704 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.902 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 p90 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.891 0.377 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 4' ' ' HIS . 16.4 t -145.55 155.27 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.407 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -55.04 79.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.548 ' N ' ' O ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -123.56 -56.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.693 ' NH2' ' OH ' ' A' ' 33' ' ' TYR . 32.4 ttp180 -100.61 146.6 32.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.875 ' C ' ' HG3' ' A' ' 7' ' ' ARG . 85.8 Cg_endo -83.36 43.74 1.5 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.033 2.488 . . . . 0.0 112.569 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.875 ' HG3' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 50.73 155.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.972 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 1.069 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -98.53 -160.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.101 0.477 . . . . 0.0 110.786 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.9 ' O ' HG13 ' A' ' 12' ' ' ILE . 31.8 t -98.88 -43.06 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.007 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -20.09 62.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.9 HG13 ' O ' ' A' ' 9' ' ' CYS . 5.9 pt -99.91 -1.38 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.066 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.634 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 27.8 t-20 80.53 36.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.619 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.741 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -116.03 -159.2 11.81 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.385 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.999 HG21 ' NH2' ' A' ' 17' ' ' ARG . 7.5 p -127.45 164.22 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 111.188 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.609 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -124.12 104.63 8.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.999 ' NH2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -113.61 -152.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.488 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.1 OUTLIER -90.49 146.05 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.95 0.405 . . . . 0.0 110.814 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.915 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.07 -4.51 13.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.703 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -126.49 26.12 6.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.748 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.597 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.68 -108.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.807 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.89 -64.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.49 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.807 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -130.46 33.42 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.977 -179.267 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.646 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.3 t -107.11 65.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 1.127 ' HB3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.09 131.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.761 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.909 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -99.96 156.05 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.141 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.977 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 mt -111.46 83.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.24 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.207 0.527 . . . . 0.0 110.9 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -26.34 -44.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.88 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.069 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.82 162.21 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.487 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.779 ' CG ' ' HG2' ' A' ' 6' ' ' PRO . 1.6 m-20 -125.47 179.34 5.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.033 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.01 -156.98 0.57 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.143 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.693 ' OH ' ' NH2' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -139.01 -6.46 1.43 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -179.397 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -88.9 -118.51 0.05 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.774 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.17 -31.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.62 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.742 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -125.87 14.52 7.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.984 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.678 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 2.0 mt-30 -109.0 142.76 39.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.915 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.97 -173.46 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.679 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.977 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 21.5 t -91.3 148.93 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.24 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.943 ' HB3' HG13 ' A' ' 15' ' ' VAL . 42.6 t -140.59 152.33 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.54 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.127 ' HD2' ' HB3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -72.7 52.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.728 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.816 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.643 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.832 0.348 . . . . 0.0 111.208 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.879 ' O ' HG22 ' A' ' 2' ' ' VAL . 2.1 p -96.26 55.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.634 ' HG2' HH12 ' A' ' 5' ' ' ARG . 1.6 mt-30 -76.42 62.12 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -101.71 88.42 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.076 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.634 HH12 ' HG2' ' A' ' 3' ' ' GLN . 1.9 mtm-85 -93.81 159.68 34.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.597 ' O ' ' C ' ' A' ' 7' ' ' ARG . 40.1 Cg_endo -67.16 107.33 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.78 2.32 . . . . 0.0 112.448 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.597 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -20.87 139.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 1.052 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -93.01 -159.98 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.718 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.933 ' O ' HG13 ' A' ' 12' ' ' ILE . 51.9 t -96.07 -45.12 7.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.724 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -30.39 71.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.9 t -69.47 -16.71 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.036 ' CD1' HG21 ' A' ' 27' ' ' ILE . 4.3 pt -106.29 0.63 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 49.1 t-20 80.95 41.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.669 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -122.88 -164.16 12.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.443 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.903 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -125.55 165.76 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.594 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -114.86 100.31 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.866 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.71 -163.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.772 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.571 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.24 141.81 28.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.914 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.856 ' HG2' ' O ' ' A' ' 36' ' ' GLY . 14.9 pttt -74.84 4.02 7.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.23 24.34 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.51 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -56.11 -107.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.777 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -173.09 -63.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.498 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.777 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.08 27.8 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.685 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -92.7 84.97 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.898 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -30.89 121.92 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.921 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -99.77 148.07 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.036 HG21 ' CD1' ' A' ' 12' ' ' ILE . 11.1 mt -105.6 81.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.491 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.34 -70.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.227 0.537 . . . . 0.0 110.691 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 28' ' ' PHE . 3.9 mt -26.34 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.695 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.052 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.62 161.82 13.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.711 ' O ' ' N ' ' A' ' 9' ' ' CYS . 24.6 m-20 -118.67 175.03 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.982 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.616 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -99.15 -146.89 0.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.258 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.667 ' CG ' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -147.29 -8.27 0.45 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.183 0.516 . . . . 0.0 110.684 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.701 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.2 m-80 -89.12 -18.36 27.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.822 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.701 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.5 m-20 83.87 -22.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.856 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -115.5 -5.26 19.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.052 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.866 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 23.8 mt-30 -107.99 161.47 14.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.781 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.53 -178.8 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.685 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.921 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 24.7 t -89.62 153.54 20.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.903 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.6 t -140.12 151.44 45.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.554 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -70.39 61.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.792 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.855 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.966 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.43 ' HB3' ' H ' ' A' ' 2' ' ' VAL . 2.3 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.884 0.374 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.43 ' H ' ' HB3' ' A' ' 1' ' ' PHE . 3.9 t -106.8 110.43 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.577 ' HG3' ' H ' ' A' ' 4' ' ' HIS . 21.9 tp60 -124.14 171.08 10.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.577 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 4.5 t-80 -116.82 106.75 13.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.725 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -128.21 129.16 23.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.66 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 39.7 Cg_exo -60.43 141.27 95.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.837 2.358 . . . . 0.0 112.17 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.718 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -28.17 135.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.825 ' HB3' ' HE1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.33 167.16 18.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.175 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.919 ' O ' HG13 ' A' ' 12' ' ' ILE . 42.5 t -85.44 -50.17 7.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -30.65 70.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.8 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 22.8 t -68.73 -23.19 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.017 ' CD1' HG21 ' A' ' 27' ' ' ILE . 5.1 pt -99.93 0.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.761 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 8.9 t-20 81.12 50.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.801 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.793 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -131.07 -176.84 14.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.298 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.805 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -115.03 164.16 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 111.308 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -116.91 99.84 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -107.57 -156.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.1 OUTLIER -90.44 135.29 33.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.918 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -63.03 -0.51 0.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.408 179.648 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.549 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t70 -128.79 26.17 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.627 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -48.57 -112.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.81 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.99 -64.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.46 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -127.68 28.92 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.877 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.62 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -102.68 67.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.763 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.856 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -16.82 131.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.894 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -102.69 151.38 22.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.017 HG21 ' CD1' ' A' ' 12' ' ' ILE . 10.0 mt -106.86 82.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -39.11 -71.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.168 0.509 . . . . 0.0 110.774 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 2.5 mt -23.27 -49.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.718 ' HA ' ' O ' ' A' ' 7' ' ' ARG . . . -99.09 160.64 14.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.694 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.66 ' OD2' ' HG2' ' A' ' 6' ' ' PRO . 75.0 m-20 -119.27 -176.58 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.704 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.765 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -99.22 -150.8 0.38 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.204 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.825 ' HE1' ' HB3' ' A' ' 8' ' ' ASP . 2.5 m-85 -146.15 -6.98 0.55 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.337 0.589 . . . . 0.0 110.418 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -89.25 -114.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.772 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -152.9 -32.53 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.412 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -125.2 13.02 7.53 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.865 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.765 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 1.7 mm100 -106.84 143.53 34.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 111.051 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.918 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -124.01 -173.72 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.605 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.902 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 11.7 t -89.67 148.49 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.856 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 53.9 t -140.52 155.49 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.601 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 2.8 mtm180 -73.05 46.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.419 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.793 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.776 0.322 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -101.4 130.61 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -146.95 -173.63 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -99.93 -57.02 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.715 ' HG3' HH11 ' A' ' 5' ' ' ARG . 0.0 OUTLIER -94.85 160.56 30.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.751 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.498 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 37.2 Cg_endo -66.08 -135.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.763 2.308 . . . . 0.0 112.149 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.594 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -104.19 141.23 36.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.742 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -67.18 -166.01 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.044 ' CA ' HD11 ' A' ' 12' ' ' ILE . 36.1 t -112.47 -48.51 3.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.835 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.38 -27.27 63.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.416 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.56 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -74.4 0.5 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 110.633 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.044 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.68 5.02 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.63 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 51.3 t30 80.82 38.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.715 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' CD ' ' A' ' 42' ' ' LYS . . . -123.43 173.0 16.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.298 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.915 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.6 p -105.37 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.756 0.312 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -119.94 101.81 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.715 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -113.0 -152.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.758 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -88.47 142.71 27.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 -179.767 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.856 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.93 0.91 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.566 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -129.9 28.58 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.692 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.49 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.91 -110.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.785 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.19 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.429 . . . . 0.0 111.606 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.785 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -127.38 28.81 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.374 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -98.6 74.26 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.855 ' HD3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -26.38 127.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.928 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.68 154.17 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.051 HG22 ' H ' ' A' ' 30' ' ' ALA . 40.2 mt -99.83 95.72 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.642 ' CD2' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.0 19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.691 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.1 mt -126.32 -38.52 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 111.351 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.051 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.05 134.11 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.594 ' OD1' ' O ' ' A' ' 7' ' ' ARG . 2.9 m-20 -101.98 173.15 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.855 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -99.37 -158.72 0.69 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.197 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.416 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 3.4 m-85 -139.55 -7.28 1.3 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.413 0.625 . . . . 0.0 110.299 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.807 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.7 m-80 -89.38 -19.27 25.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.822 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.807 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER 88.01 -21.46 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.509 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.813 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -118.21 -2.47 15.77 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.254 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.855 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 4.0 mt-30 -106.15 148.96 27.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.728 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.857 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -119.02 178.22 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.928 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 1.8 t -89.62 148.35 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.499 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.915 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 12.0 t -140.29 143.75 36.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.855 ' HD2' ' HD3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -61.82 70.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.728 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.12 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.454 ' HD1' ' HA ' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.827 0.346 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.657 ' O ' HG22 ' A' ' 2' ' ' VAL . 11.6 p -129.88 38.52 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -108.6 95.31 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.483 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -95.6 -143.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.536 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -147.55 115.6 4.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.536 ' O ' ' O ' ' A' ' 5' ' ' ARG . 74.9 Cg_exo -49.52 -123.21 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.806 2.337 . . . . 0.0 112.42 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.08 152.56 47.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.911 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -96.35 -158.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.86 ' O ' HG13 ' A' ' 12' ' ' ILE . 50.4 t -101.42 -43.17 6.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.737 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -30.35 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.332 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 m -74.21 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.86 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -109.84 0.85 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.035 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.744 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 3.4 t-20 80.16 36.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.766 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.799 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.36 -175.15 15.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.395 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.907 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.7 p -111.52 164.86 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.599 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -126.43 105.97 9.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.221 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.757 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -118.08 -155.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.782 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.489 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -90.16 146.21 24.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.868 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -72.43 15.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.743 179.765 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.589 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.25 18.96 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -41.63 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.579 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.96 -64.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.83 35.7 4.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.08 -179.239 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.8 t -110.47 74.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.81 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -24.03 131.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.901 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.03 150.36 22.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.055 HG22 ' H ' ' A' ' 30' ' ' ALA . 36.8 mt -100.07 93.72 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.76 24.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.403 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.66 ' H ' ' C ' ' A' ' 27' ' ' ILE . 7.3 mt -130.28 -37.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 111.248 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.055 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.34 141.15 32.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 m-20 -103.27 170.66 7.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.618 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 1.2 m -98.97 -148.18 0.34 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.107 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.504 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -144.21 -10.22 0.66 Allowed 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.236 0.541 . . . . 0.0 110.727 -179.649 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 7.3 m120 -89.44 -19.81 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 11.3 t0 86.43 -20.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.613 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.773 ' C ' ' HD3' ' A' ' 19' ' ' LYS . . . -115.92 -3.78 19.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.371 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.757 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 11.8 mt-30 -107.03 146.82 30.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.361 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.868 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.0 174.64 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.901 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.0 t -89.73 151.14 21.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.907 ' HB3' HG13 ' A' ' 15' ' ' VAL . 49.2 t -140.09 149.41 43.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.484 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.523 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -71.08 58.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.779 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.891 ' CD ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.917 0.389 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -111.22 -165.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 79.51 38.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.729 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -104.68 -46.6 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -129.77 152.15 79.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.092 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.83 -73.72 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.765 2.31 . . . . 0.0 112.123 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -154.23 135.0 13.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -70.69 152.55 43.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.912 ' O ' HG13 ' A' ' 12' ' ' ILE . 46.2 t -72.15 -49.1 38.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.08 -33.67 73.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.274 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.46 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 6.0 t -65.38 -22.73 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.182 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.912 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.0 pt -99.94 1.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 0.0 111.283 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.691 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 28.2 t-20 81.27 41.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.716 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.702 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -122.56 175.76 16.47 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.165 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.852 HG13 ' HB2' ' A' ' 40' ' ' CYS . 13.2 p -109.42 166.49 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.238 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.823 ' SG ' ' HB2' ' A' ' 37' ' ' GLN . 50.1 t -118.06 101.26 8.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.83 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -112.85 -157.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -88.76 134.97 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.799 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.829 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -68.99 10.45 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -139.89 25.99 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.564 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -49.22 -104.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.643 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.797 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.53 -64.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.797 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -127.01 21.96 6.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.774 -179.323 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 18.1 t -94.35 94.56 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.761 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 1.11 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 10.8 mtt85 -41.9 128.87 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.887 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 10.5 tt0 -99.92 150.75 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.906 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 12.1 mt -107.97 83.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -42.19 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 110.566 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.2 mt -29.22 -47.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 9' ' ' CYS . . . -99.33 146.38 26.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.082 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 1.1 m-20 -108.97 -175.27 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.794 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.05 -141.88 0.32 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.921 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.47 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -161.33 -5.29 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.359 0.599 . . . . 0.0 110.304 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.854 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 5.8 m120 -89.63 -19.29 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.854 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 1.1 m-20 89.71 -19.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.64 2.47 9.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.83 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 14.2 mt-30 -118.04 159.44 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.829 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -123.22 -172.47 2.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.906 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 6.2 t -89.59 148.02 23.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.852 ' HB2' HG13 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -137.43 150.64 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.443 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.11 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.8 45.67 0.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.612 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.702 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.848 0.356 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 m -97.34 -167.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.628 ' HG2' ' HD3' ' A' ' 5' ' ' ARG . 3.3 tt0 68.05 74.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.765 ' C ' ' HD2' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -92.57 64.11 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.765 ' HD2' ' C ' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -134.14 148.18 66.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.47 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 48.0 Cg_exo -55.59 -94.69 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.08 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.703 ' HG2' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -131.65 134.69 46.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.623 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -55.68 144.67 26.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.102 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.859 ' O ' HG13 ' A' ' 12' ' ' ILE . 30.0 t -66.97 -50.7 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -30.71 71.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.623 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -72.33 -11.01 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.389 . . . . 0.0 110.9 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.859 HG13 ' O ' ' A' ' 9' ' ' CYS . 1.1 pp -108.77 3.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.559 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 60.4 t30 80.91 37.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.991 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.866 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -120.99 170.74 14.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.098 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.953 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 7.6 p -103.18 158.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -113.32 97.57 6.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 111.281 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.855 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 5.3 tpp180 -105.19 -172.64 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.369 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.855 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -78.64 129.64 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 110.684 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 1.023 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -57.63 7.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.697 ' H ' ' C ' ' A' ' 18' ' ' HIS . 1.1 t0 -138.24 21.62 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.331 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.583 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.7 m -43.78 -109.45 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.809 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.23 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.693 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.809 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -128.05 36.52 4.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.065 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.625 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.0 t -110.94 69.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.807 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -16.66 131.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.927 ' HB2' ' HD3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -102.96 155.35 18.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.098 HG22 ' H ' ' A' ' 30' ' ' ALA . 50.2 mt -102.03 87.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.64 14.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.591 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.731 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -118.14 -43.28 2.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.098 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.45 138.84 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -97.08 173.37 7.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.798 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.31 -145.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.688 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.499 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.4 OUTLIER -147.94 -9.84 0.39 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.186 0.517 . . . . 0.0 110.803 -179.404 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 21.0 m-80 -89.18 -18.15 27.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.057 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.8 t0 82.35 -21.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.348 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 19' ' ' LYS . . . -113.13 -8.2 20.2 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.984 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.844 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 4.9 mt-30 -111.61 146.8 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 1.023 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.73 -177.31 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.895 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.4 t -89.78 149.97 22.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.756 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.923 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 49.0 t -136.82 151.58 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.624 ' O ' ' O ' ' A' ' 42' ' ' LYS . 1.4 mtm180 -69.87 61.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.953 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.714 ' N ' ' HD1' ' A' ' 1' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.771 0.32 . . . . 0.0 111.224 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.741 HG12 ' N ' ' A' ' 3' ' ' GLN . 74.6 t -148.43 171.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.741 ' N ' HG12 ' A' ' 2' ' ' VAL . 21.8 tt0 55.16 98.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.46 66.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -141.02 132.11 13.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.791 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 83.0 Cg_exo -44.99 -95.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.829 2.353 . . . . 0.0 112.34 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.709 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -129.13 138.77 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.78 ' OD2' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER -71.22 151.62 44.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.023 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.898 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.7 t -65.87 -48.27 72.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.22 -32.46 71.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.058 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.78 ' HB3' ' OD2' ' A' ' 8' ' ' ASP . 91.9 p -68.52 -22.48 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.901 ' CD1' HG21 ' A' ' 27' ' ' ILE . 4.6 pt -99.68 -1.72 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 24.7 t30 81.14 44.75 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.154 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.67 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.55 -163.78 12.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.199 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.883 ' HB ' ' CE ' ' A' ' 42' ' ' LYS . 14.3 p -125.64 161.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 111.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.68 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -121.53 103.0 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.102 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.958 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 7.1 tpp85 -111.51 -151.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.958 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 136.58 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.953 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -60.48 2.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.549 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' A' ' 21' ' ' THR . 2.4 t0 -134.3 24.34 3.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.461 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.772 HG23 ' HG2' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -40.31 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.551 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.809 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.43 -65.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.491 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.809 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -132.1 29.79 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.909 -179.347 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.644 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.3 t -100.54 69.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 1.036 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.65 130.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.884 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -100.2 144.73 28.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.065 -179.829 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.024 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 mt -102.63 86.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.32 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.155 0.502 . . . . 0.0 110.875 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.648 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -26.41 -44.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.941 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.709 ' HA ' ' O ' ' A' ' 7' ' ' ARG . . . -98.96 153.92 18.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.945 0.403 . . . . 0.0 111.53 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 7' ' ' ARG . 2.4 m-20 -117.99 -179.17 3.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.635 ' SG ' ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.44 -145.42 0.33 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.172 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.533 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 m-85 -151.55 -9.13 0.22 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.357 0.599 . . . . 0.0 110.378 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.485 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 8.7 m120 -89.74 -131.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.791 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.485 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 m-20 -138.64 -18.35 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.29 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.771 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -135.57 13.83 4.23 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.984 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.79 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 1.7 mt-30 -109.56 145.72 35.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.953 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -128.95 -175.61 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.687 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.024 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 24.8 t -89.82 147.31 23.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.026 0.441 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.905 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 18.6 t -140.59 155.61 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.036 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -74.11 49.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 110.715 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.883 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.84 0.353 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 p -97.64 157.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -116.1 88.2 2.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 -19.79 18.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 8' ' ' ASP . 9.9 mmm-85 -126.33 94.37 41.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.516 ' C ' ' HG2' ' A' ' 7' ' ' ARG . 52.3 Cg_exo -52.6 -56.56 2.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.413 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.736 ' HD3' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -172.93 152.82 2.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.858 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -98.76 -146.5 0.32 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.641 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.048 ' CA ' HD11 ' A' ' 12' ' ' ILE . 53.2 t -116.43 -43.7 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.835 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -27.29 64.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.445 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.478 ' N ' HD13 ' A' ' 12' ' ' ILE . 40.2 t -73.74 -0.93 17.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.04 0.448 . . . . 0.0 110.407 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.048 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -124.46 2.04 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.726 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.89 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 33.4 t-20 80.86 46.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.872 ' N ' ' HE2' ' A' ' 42' ' ' LYS . . . -129.14 -175.23 13.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.247 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.898 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.8 p -115.44 158.94 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -110.98 92.54 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.853 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 3.5 mmt180 -103.88 -154.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.45 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -90.27 154.8 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.009 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 1.039 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -83.25 -0.98 51.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.188 179.37 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -131.05 28.36 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.274 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.501 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.71 -113.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.831 -179.76 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.787 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.538 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.787 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -127.67 34.57 4.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.884 -179.332 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.0 t -108.61 68.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.891 ' HB2' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -13.68 132.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.766 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.64 151.86 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.795 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.944 ' CG2' ' HB3' ' A' ' 30' ' ' ALA . 9.9 mt -114.65 85.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -43.92 -68.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 110.533 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.736 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -33.95 -43.6 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.421 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.944 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -99.03 149.67 22.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.236 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.725 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 5.7 m-20 -117.34 -177.59 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.812 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -99.09 -164.48 1.13 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.865 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.679 ' CD2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -137.26 -5.07 1.85 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.574 0.702 . . . . 0.0 109.945 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.599 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 10.9 m120 -89.65 -23.41 21.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.8 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 18.7 t0 92.69 -28.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.714 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.799 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -114.04 -1.25 23.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.392 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.853 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 40.6 mt-30 -109.76 160.43 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 1.039 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.5 179.91 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.82 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 10.7 t -89.83 148.86 22.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.898 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -140.17 151.28 45.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.891 ' HG3' ' HB2' ' A' ' 25' ' ' ARG . 84.7 mtt180 -71.71 61.25 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.89 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 1.6 mptp? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.823 0.344 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -148.88 42.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -39.77 119.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.686 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -121.47 -60.66 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.638 ' HD3' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -98.66 117.84 63.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 60.9 Cg_exo -51.62 -98.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.75 2.3 . . . . 0.0 112.358 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.434 ' H ' ' HB2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -119.09 148.03 43.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.907 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -71.07 -167.87 0.25 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.21 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.03 ' CA ' HD11 ' A' ' 12' ' ' ILE . 9.0 t -109.68 -49.51 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -27.79 65.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.658 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.841 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 20.1 m -74.67 1.02 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.659 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.03 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -123.61 4.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 22.1 t30 80.77 41.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.948 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.754 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -121.86 167.32 14.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.21 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.029 HG12 ' O ' ' A' ' 40' ' ' CYS . 11.7 p -103.9 154.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.545 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -106.26 83.5 1.9 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.745 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -101.4 -160.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.741 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.481 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.1 OUTLIER -90.23 140.65 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.938 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -70.3 7.53 1.0 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -134.74 21.89 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -47.79 -109.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.727 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.818 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.32 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.46 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.818 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.14 36.17 4.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.834 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.619 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.6 t -104.62 70.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.763 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.903 ' HD3' ' H ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -17.13 125.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.781 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.846 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.0 154.37 18.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.102 HG22 ' H ' ' A' ' 30' ' ' ALA . 23.5 mt -104.18 87.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.71 18.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.244 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.706 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -120.8 -40.27 2.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.008 0.432 . . . . 0.0 111.471 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.102 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.02 149.45 22.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.27 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 9' ' ' CYS . 41.0 m-20 -105.95 170.01 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.708 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.14 -149.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.361 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 m-85 -143.96 -9.31 0.7 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.244 0.545 . . . . 0.0 110.699 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.776 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 25.0 m-80 -89.05 -19.61 25.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.037 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.776 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 84.18 -19.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.524 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.591 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -119.66 -2.55 12.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.225 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.745 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 2.5 mt-30 -111.43 149.93 30.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.65 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.938 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.76 178.95 4.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.111 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.942 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -89.78 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.066 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 1.029 ' O ' HG12 ' A' ' 15' ' ' VAL . 6.4 t -140.93 122.74 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.651 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -37.88 80.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.816 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 3' ' ' GLN . 0.6 OUTLIER -135.48 45.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 2' ' ' VAL . 3.0 tt0 33.01 46.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -92.45 109.72 21.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -102.18 136.14 19.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.955 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.553 ' HD2' ' OD2' ' A' ' 31' ' ' ASP . 39.1 Cg_exo -56.83 -117.09 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.754 2.303 . . . . 0.0 112.081 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.696 ' HD3' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -101.54 142.53 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.753 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.708 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -58.73 173.77 0.39 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.887 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.9 t -100.22 -47.8 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -29.21 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.503 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.39 -9.37 58.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.633 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.887 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -109.96 3.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.13 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.618 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 63.3 t-20 80.73 36.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.852 ' CA ' ' HE3' ' A' ' 42' ' ' LYS . . . -117.56 -168.35 14.55 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.045 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.024 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.4 p -123.21 158.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.329 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.527 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -115.14 101.83 9.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.317 -179.69 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.759 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -114.93 -157.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.637 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.759 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.35 150.45 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 1.003 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.67 -3.51 31.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -126.76 26.02 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.691 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.536 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.5 m -48.14 -111.08 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.788 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -64.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.815 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.788 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.09 19.97 6.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.298 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.618 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.2 t -93.07 59.38 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.717 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.786 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 1.5 ttm180 -11.84 131.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.893 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.35 153.85 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.676 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.047 HG22 ' H ' ' A' ' 30' ' ' ALA . 27.5 mt -100.0 90.6 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.179 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.55 12.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.376 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.737 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.8 mt -115.69 -44.06 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.916 0.389 . . . . 0.0 111.441 -179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.047 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.6 161.31 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.146 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.2 m-20 -123.3 -178.5 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.859 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -99.57 -148.51 0.35 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.382 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.646 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 5.0 m-85 -147.36 -9.88 0.43 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 6.5 m120 -89.58 -19.49 24.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.158 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.7 OUTLIER 87.17 -18.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -116.32 -5.57 16.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.264 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.859 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.8 mt-30 -109.1 149.9 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 1.003 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.22 179.93 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.893 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.7 t -89.74 147.55 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 1.024 ' HB3' HG13 ' A' ' 15' ' ' VAL . 44.0 t -140.14 147.69 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -72.06 55.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.926 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.544 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 2.7 m-30 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.759 0.314 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.0 t -92.4 117.17 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -126.17 -171.28 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.982 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -140.9 -46.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.714 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.764 ' H ' ' CD ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -93.25 148.86 36.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.767 179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.473 ' HG2' ' OD1' ' A' ' 31' ' ' ASP . 56.5 Cg_endo -70.56 -83.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.206 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.634 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -155.33 148.22 24.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.881 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -73.01 177.49 4.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.025 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.934 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.0 t -102.07 -48.28 4.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -32.99 72.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.344 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.499 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 41.3 t -69.38 -20.43 63.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.116 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.934 HG13 ' O ' ' A' ' 9' ' ' CYS . 4.7 pt -100.16 1.32 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 21.8 t-20 81.11 42.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.682 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.516 ' HA2' ' HD3' ' A' ' 42' ' ' LYS . . . -124.26 174.03 16.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.343 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.854 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 7.4 p -110.17 153.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 111.318 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.41 95.2 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.866 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -110.84 -161.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -87.81 136.36 32.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.847 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.37 2.81 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.791 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.8 t0 -131.2 23.52 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.709 HG21 ' HD2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -46.59 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.768 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.07 -64.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.808 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.35 39.49 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.867 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.9 t -110.36 67.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.891 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -16.13 132.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.902 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 tt0 -103.32 145.92 29.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.859 HG22 ' O ' ' A' ' 27' ' ' ILE . 7.7 mt -101.69 82.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.81 -72.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.255 0.55 . . . . 0.0 110.87 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 1.2 mt -22.49 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.035 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.881 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.76 -179.38 4.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.65 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.634 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -137.91 179.28 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.036 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.778 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.32 -145.6 0.33 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.307 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.5 ' HE2' ' HB3' ' A' ' 8' ' ' ASP . 3.1 m-85 -149.7 -8.86 0.31 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.277 0.561 . . . . 0.0 110.519 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.639 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 7.9 m120 -89.34 -19.44 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.105 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.639 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 86.49 -22.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.174 -179.487 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.616 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -115.86 -5.46 17.93 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.02 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.866 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 46.4 mt-30 -109.24 156.39 19.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.749 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.847 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.81 179.9 4.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.902 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 9.9 t -89.18 151.48 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.891 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 34.4 t -139.64 153.58 47.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.372 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.717 ' HD2' ' HG3' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -69.93 36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.047 0.451 . . . . 0.0 110.642 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.599 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.009 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.834 0.35 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -118.03 145.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.468 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 14.6 pm0 -98.69 151.28 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.468 ' HB2' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -103.31 -117.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.468 ' H ' ' HB2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -147.77 171.31 6.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 5' ' ' ARG . 71.6 Cg_endo -74.92 -124.04 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.862 2.375 . . . . 0.0 112.536 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.575 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 2.8 mtp85 -106.15 155.2 19.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.965 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -102.71 -147.13 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.628 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.074 ' CA ' HD11 ' A' ' 12' ' ' ILE . 48.7 t -113.25 -44.17 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.651 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -24.95 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.457 ' N ' HD13 ' A' ' 12' ' ' ILE . 29.1 p -72.94 -3.09 23.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.136 0.493 . . . . 0.0 110.297 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.074 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.83 -0.23 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.915 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.763 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 45.0 t30 80.52 38.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.635 ' CA ' ' HE2' ' A' ' 42' ' ' LYS . . . -114.78 -169.87 16.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.451 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.868 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 8.0 p -120.78 151.56 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.13 95.33 5.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.602 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -113.11 -165.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -83.4 136.91 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.879 ' HE2' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -62.06 -2.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.615 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -129.14 25.45 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.798 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.966 HG23 ' H ' ' A' ' 22' ' ' VAL . 2.5 t -46.2 -98.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.966 ' H ' HG23 ' A' ' 21' ' ' THR . 0.5 OUTLIER -175.93 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.691 -179.763 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.789 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.7 25.2 4.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 -179.285 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.3 t -96.23 73.04 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.931 ' HD3' ' H ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -20.29 135.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.874 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.8 tt0 -100.55 151.77 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 33.2 mt -112.05 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.42 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -45.09 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.308 0.575 . . . . 0.0 110.509 179.562 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mp -34.98 -41.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.835 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.34 154.47 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.738 ' O ' ' N ' ' A' ' 9' ' ' CYS . 73.4 m-20 -122.26 174.3 7.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.219 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.857 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.59 -149.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.67 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -145.99 -8.76 0.54 Allowed 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.238 0.542 . . . . 0.0 110.645 -179.467 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 22.7 m-80 -89.35 -19.07 25.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER 86.42 -26.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.879 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -112.22 -4.64 25.45 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.307 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.857 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 19.5 mt-30 -111.63 146.02 38.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.3 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.841 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -112.95 179.91 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.874 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 7.2 t -89.72 153.03 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.92 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 4.1 t -140.67 151.28 44.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.641 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.15 51.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.95 0.405 . . . . 0.0 110.604 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.763 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.842 0.353 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.655 ' O ' ' C ' ' A' ' 3' ' ' GLN . 0.5 OUTLIER -114.68 162.5 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.083 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.655 ' C ' ' O ' ' A' ' 2' ' ' VAL . 28.7 mm100 -8.37 88.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.513 ' HB3' ' H ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -146.35 -99.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.088 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.513 ' H ' ' HB3' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -90.37 136.27 28.63 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.259 -179.669 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.564 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 46.3 Cg_exo -55.67 138.15 80.27 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.746 2.297 . . . . 0.0 111.969 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -26.19 133.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.734 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.642 ' OD1' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -52.06 155.31 1.91 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.93 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.882 ' O ' HG13 ' A' ' 12' ' ' ILE . 27.3 t -77.8 -51.53 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.384 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -27.27 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.468 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.642 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.02 -8.8 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.388 . . . . 0.0 110.721 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.882 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -111.93 4.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.148 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.65 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 29.0 t-20 80.78 32.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.598 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -110.93 172.41 15.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.031 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.9 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.7 p -107.5 151.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.79 97.26 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.98 0.419 . . . . 0.0 111.201 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.767 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 1.7 ttm180 -110.79 -161.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.825 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -86.26 142.19 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.774 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.854 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.44 4.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.223 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -134.34 23.01 3.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.648 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.559 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.09 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.766 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.05 -60.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.343 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.766 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -133.87 37.64 3.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.944 -179.338 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.609 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.6 t -110.91 70.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 1.044 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -18.47 130.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.792 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.896 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -100.51 146.12 27.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.963 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 11.7 mt -100.84 81.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.03 -67.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.499 . . . . 0.0 110.793 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 1.9 mt -34.37 -45.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.861 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.768 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -98.7 142.77 29.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.602 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.0 m-20 -101.37 178.61 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.815 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.49 -144.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.057 179.371 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.45 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -152.0 -7.93 0.21 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.238 0.542 . . . . 0.0 110.507 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 7.4 m120 -89.34 -19.6 25.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.114 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 9.0 t0 89.32 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.432 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.561 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -112.04 3.92 27.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.281 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.815 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.6 mt-30 -117.57 150.64 38.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.854 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.21 -179.84 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.963 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 3.1 t -89.88 153.53 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.449 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.9 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -141.35 150.2 42.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.283 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.044 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -68.87 65.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 110.782 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.758 ' HE2' ' CA ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.503 ' CG ' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.833 0.349 . . . . 0.0 111.179 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 t -109.44 146.84 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 98.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.77 60.72 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 144.48 50.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.823 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.6 ' C ' ' HG3' ' A' ' 7' ' ' ARG . 72.6 Cg_endo -75.53 56.46 4.57 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.77 2.313 . . . . 0.0 112.308 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.6 ' HG3' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 58.52 155.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 1.074 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.3 -158.9 0.67 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.459 179.688 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.674 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.9 t -102.96 -42.63 5.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.771 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.72 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.286 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -15.98 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.863 HD13 ' HB2' ' A' ' 30' ' ' ALA . 6.8 pt -108.06 -1.31 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.146 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 2.1 t30 80.77 37.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.008 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.903 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -112.91 -162.49 15.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.127 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.975 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 14.7 p -124.9 160.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.489 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -121.75 104.52 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.923 ' NH2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -112.62 -155.24 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.749 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.674 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.24 137.93 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.873 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -59.25 -6.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.677 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.603 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.3 OUTLIER -124.41 25.75 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.603 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.9 m -43.07 -109.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.774 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.821 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.34 -65.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.534 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.821 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.91 38.57 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.975 -179.315 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.624 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -111.42 70.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.848 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -16.73 130.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.926 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -100.73 148.24 25.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.014 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 9.4 mt -100.65 85.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.26 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.61 -71.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.154 0.502 . . . . 0.0 110.94 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' PHE . 2.0 mt -31.08 -41.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.877 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.074 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.95 165.26 11.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.472 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' OD2' ' HG2' ' A' ' 6' ' ' PRO . 10.8 m-20 -127.27 -179.25 4.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.529 ' C ' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -99.2 -171.29 2.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.847 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -126.35 -5.14 6.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.356 0.598 . . . . 0.0 110.715 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 23.8 m-80 -88.88 -122.0 0.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.777 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -143.25 -44.71 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.18 21.7 10.77 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.224 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.725 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 3.4 mt-30 -111.4 155.39 23.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 111.039 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.926 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -128.99 -178.8 4.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.701 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.014 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 44.0 t -89.99 149.17 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.888 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 41.3 t -140.51 153.52 46.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.728 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.6 51.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.798 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.975 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.767 0.318 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -132.36 40.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER 29.15 34.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.617 ' N ' ' O ' ' A' ' 2' ' ' VAL . 0.3 OUTLIER -107.36 -45.73 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.684 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.699 HH21 ' HD1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -132.93 83.64 51.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.693 179.761 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.546 ' O ' ' O ' ' A' ' 5' ' ' ARG . 72.4 Cg_exo -48.11 -118.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.706 2.271 . . . . 0.0 112.185 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.879 ' NH2' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -109.34 134.04 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.797 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -91.94 -143.22 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.636 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.063 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 40.5 t -115.69 -43.92 2.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.63 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.08 -26.86 63.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.514 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.52 -3.08 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.132 0.491 . . . . 0.0 110.577 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.899 HG12 ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -120.96 1.46 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.889 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.615 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 51.2 t30 80.39 44.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.583 ' C ' ' HE2' ' A' ' 42' ' ' LYS . . . -125.89 174.27 17.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.448 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.976 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.6 p -104.98 160.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.557 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -121.19 103.07 8.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.68 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.87 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -116.28 -153.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.492 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -90.16 139.22 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 1.05 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -62.54 1.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.758 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.595 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -133.56 19.97 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.471 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.595 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER -34.22 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.827 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -179.62 -65.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.55 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.827 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.3 27.42 5.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.904 -179.278 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.3 t -102.76 76.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.937 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 1.2 mtt180 -24.82 134.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.769 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.31 149.63 24.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.979 HD12 ' SG ' ' A' ' 39' ' ' CYS . 48.7 mt -100.43 96.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.71 28.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.879 HD23 ' NH2' ' A' ' 7' ' ' ARG . 3.4 mt -137.84 -33.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.965 0.412 . . . . 0.0 111.516 -178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.063 ' HB1' ' HA ' ' A' ' 9' ' ' CYS . . . -99.3 136.18 39.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.373 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.722 ' O ' ' N ' ' A' ' 9' ' ' CYS . 95.4 m-20 -97.15 167.69 10.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.551 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 0.8 OUTLIER -99.6 -149.75 0.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.279 179.722 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.699 ' HD1' HH21 ' A' ' 5' ' ' ARG . 0.1 OUTLIER -146.77 -8.87 0.47 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.332 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.862 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 26.9 m-80 -89.66 -20.44 23.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.951 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.862 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.6 OUTLIER 86.42 -28.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 -179.698 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -109.94 -1.92 30.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.272 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.87 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 13.0 mt-30 -109.29 161.14 15.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.832 0.349 . . . . 0.0 110.693 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 1.05 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -126.05 178.97 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.979 ' SG ' HD12 ' A' ' 27' ' ' ILE . 6.2 t -89.87 151.12 21.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.976 ' HB3' HG13 ' A' ' 15' ' ' VAL . 35.3 t -140.08 157.2 46.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.937 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 9.4 mtt-85 -74.72 51.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.915 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.742 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.491 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.108 ' CA ' HD11 ' A' ' 12' ' ' ILE . 49.8 t -114.64 -43.22 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -28.06 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.186 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -74.49 -0.07 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.108 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -123.1 2.01 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.026 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.75 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 5.3 t-20 80.42 37.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.677 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.719 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.76 -170.69 14.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.515 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.892 HG13 ' HB3' ' A' ' 40' ' ' CYS . 8.3 p -121.25 161.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.565 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -115.32 100.96 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.741 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -112.42 -161.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.602 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.83 138.05 31.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.829 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.65 -2.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.539 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -127.18 22.73 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.602 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -44.52 -105.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.797 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.29 -65.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.505 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.797 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.26 23.52 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.032 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.642 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -91.35 62.39 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.804 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.971 ' HB3' ' HE ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -10.77 128.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.958 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.874 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -99.55 149.44 23.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.775 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.062 HG22 ' H ' ' A' ' 30' ' ' ALA . 48.1 mt -99.97 94.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.305 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 21.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.683 ' H ' ' C ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -130.53 -35.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.423 -179.008 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.062 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.03 137.59 37.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.966 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.721 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -101.31 172.19 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.595 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -99.62 -147.56 0.34 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.38 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CD1' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -149.23 -9.74 0.32 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.231 -179.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.638 ' O ' ' HB3' ' A' ' 35' ' ' ASP . 28.9 m-80 -89.9 -21.17 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.221 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.638 ' HB3' ' O ' ' A' ' 34' ' ' ASN . 10.2 t70 88.78 -25.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.563 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.776 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -111.1 -5.58 26.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.29 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.741 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 2.5 mt-30 -105.98 162.12 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.928 0.394 . . . . 0.0 110.826 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.874 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -127.39 179.2 5.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.945 ' SG ' HD12 ' A' ' 27' ' ' ILE . 7.7 t -89.32 148.86 23.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HB3' HG13 ' A' ' 15' ' ' VAL . 39.6 t -139.91 149.8 43.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.971 ' HE ' ' HB3' ' A' ' 25' ' ' ARG . 6.7 mtm180 -70.98 58.52 0.22 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.779 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.719 ' HE3' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.798 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.882 0.373 . . . . 0.0 111.16 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.909 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.0 t -95.06 -48.89 5.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -32.47 70.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.671 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -70.15 -21.32 63.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.854 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.909 HG13 ' O ' ' A' ' 9' ' ' CYS . 6.2 pt -99.71 -2.08 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.744 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 49.7 t30 80.37 42.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.65 -168.97 14.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.833 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.9 p -121.54 154.1 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -110.74 97.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -111.36 -155.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.759 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 139.61 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.889 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.31 -0.58 1.31 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.59 ' O ' ' O ' ' A' ' 21' ' ' THR . 5.5 t0 -129.2 23.59 5.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.59 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.55 -107.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.815 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.11 -65.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.764 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.815 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -128.07 26.66 5.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.059 -179.063 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 25' ' ' ARG . 3.8 t -100.61 67.07 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.877 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 27.7 mtt85 -16.6 136.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.947 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 2.9 tt0 -105.17 148.41 26.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.836 HG21 ' CD1' ' A' ' 12' ' ' ILE . 8.1 mt -103.41 84.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -40.07 -73.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.065 0.46 . . . . 0.0 110.816 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.3 mt -23.44 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.614 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.798 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -99.33 166.54 11.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 93.2 m-20 -126.6 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.55 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.79 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.06 -153.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.111 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.671 ' HD1' ' O ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -144.74 -5.31 0.73 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 110.384 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.692 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 19.9 m-80 -88.92 -107.94 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.809 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.82 -34.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.247 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -124.81 15.8 7.43 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.793 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.79 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.4 mt-30 -109.63 145.44 36.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 111.089 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.947 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -122.81 -177.65 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.9 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 13.2 t -89.67 147.54 23.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.149 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.877 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 13.3 t -140.57 152.73 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.498 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.58 54.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.849 0.357 . . . . 0.0 110.729 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.751 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.727 ' OD2' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 120.755 0.312 . . . . 0.0 111.058 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.857 ' O ' HG13 ' A' ' 12' ' ' ILE . 53.5 t -69.53 -47.21 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -31.93 73.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.727 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 32.5 t -73.83 -13.4 60.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.796 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.907 HD11 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -103.43 1.91 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.997 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.732 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 5.8 t30 79.36 33.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.715 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.588 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.46 -176.02 16.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.859 HG13 ' HB2' ' A' ' 40' ' ' CYS . 11.3 p -112.78 164.18 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.534 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.6 98.17 6.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.789 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.34 -158.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.536 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.22 139.97 30.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.837 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 3.9 ptmt -73.78 6.96 2.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.1 t70 -133.73 21.21 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.5 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -51.51 -111.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.77 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.38 -63.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 0.0 111.63 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.77 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -125.3 35.68 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.929 -179.293 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.649 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 37.8 t -108.24 77.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.796 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.866 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -22.96 123.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.202 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.897 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.29 144.62 29.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.826 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.97 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 20.6 mt -101.42 81.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -41.01 -67.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 110.791 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt -29.71 -48.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.68 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.05 149.03 23.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -107.7 179.62 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.868 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.15 -147.3 0.33 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.037 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.412 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -146.56 -9.7 0.48 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.251 0.548 . . . . 0.0 110.534 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.585 ' HB2' ' HG3' ' A' ' 37' ' ' GLN . 27.9 m-80 -89.53 -19.3 25.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.821 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.5 t0 87.57 -27.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.345 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.749 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -110.8 -6.32 26.66 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.938 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.868 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.7 mt-30 -107.77 152.36 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.623 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.837 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.3 -177.47 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.97 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 4.2 t -89.15 151.65 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.866 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 1.1 m -140.4 148.73 41.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.501 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.754 ' HD2' ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.42 54.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.758 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.789 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.62 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.86 0.362 . . . . 0.0 111.068 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.925 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.9 t -81.45 -53.08 6.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -26.86 68.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.62 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 40.1 t -69.08 -22.77 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.925 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.3 pt -99.78 0.3 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.852 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.725 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 27.9 t30 81.19 42.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.742 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.591 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -117.21 -173.41 16.53 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.277 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.973 HG13 ' HB3' ' A' ' 40' ' ' CYS . 5.7 p -117.73 163.64 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 37' ' ' GLN . 47.0 t -119.88 103.11 9.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.982 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 5.7 mtt-85 -113.49 -157.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.598 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.09 135.13 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.982 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.1 -2.84 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.384 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.37 25.58 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.433 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.598 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -44.92 -108.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.801 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.22 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 111.561 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.801 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.87 27.6 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.097 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.982 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 4.3 t -100.77 68.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.743 ' HB3' ' CZ ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -19.27 129.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 1.019 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 5.3 tt0 -100.55 153.7 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.113 HG22 ' H ' ' A' ' 30' ' ' ALA . 38.6 mt -99.67 87.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.13 13.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.616 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.728 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.6 mt -117.61 -43.71 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.843 0.354 . . . . 0.0 111.412 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.113 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.85 145.16 28.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.772 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -99.41 -179.01 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.896 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.06 -138.72 0.31 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.917 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.471 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -160.4 -8.28 0.05 Allowed 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.197 0.522 . . . . 0.0 110.37 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.754 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 21.3 m-80 -89.92 -20.03 23.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.895 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.754 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.6 m-20 89.64 -24.75 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.63 -0.16 21.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.821 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt-30 -115.58 158.68 22.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.781 0.325 . . . . 0.0 110.976 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 1.019 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -121.44 -179.68 4.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.834 ' SG ' HD12 ' A' ' 27' ' ' ILE . 6.5 t -90.01 148.2 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.307 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.973 ' HB3' HG13 ' A' ' 15' ' ' VAL . 49.9 t -137.04 152.98 50.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.353 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.743 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.3 mtm180 -72.59 52.18 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 0.0 110.704 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.902 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 1.069 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.101 0.477 . . . . 0.0 110.786 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.9 ' O ' HG13 ' A' ' 12' ' ' ILE . 31.8 t -98.88 -43.06 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.007 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -20.09 62.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.9 HG13 ' O ' ' A' ' 9' ' ' CYS . 5.9 pt -99.91 -1.38 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.066 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.634 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 9.7 t30 80.53 36.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.619 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.741 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -116.03 -159.2 11.81 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.385 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.999 HG21 ' NH2' ' A' ' 17' ' ' ARG . 7.5 p -127.45 164.22 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 111.188 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.609 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -124.12 104.63 8.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.999 ' NH2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -113.61 -152.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.488 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.49 146.05 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.95 0.405 . . . . 0.0 110.814 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.915 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.07 -4.51 13.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.703 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -126.49 26.12 6.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.748 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.597 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.68 -108.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.807 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.89 -64.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.49 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.807 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -130.46 33.42 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.977 -179.267 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.646 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.3 t -107.11 65.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 1.127 ' HB3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.09 131.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.761 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.909 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -99.96 156.05 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.141 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.977 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 mt -111.46 83.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.24 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.207 0.527 . . . . 0.0 110.9 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -26.34 -44.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.88 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.069 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.82 162.21 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.487 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.6 m-20 -125.47 179.34 5.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.033 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.01 -156.98 0.57 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.143 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.545 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -139.01 -6.46 1.43 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -179.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -88.9 -118.51 0.05 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.774 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.17 -31.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.62 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.742 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -125.87 14.52 7.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.984 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.678 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 2.0 mt-30 -109.0 142.76 39.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.915 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.97 -173.46 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.679 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.977 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 21.5 t -91.3 148.93 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.24 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.943 ' HB3' HG13 ' A' ' 15' ' ' VAL . 42.6 t -140.59 152.33 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.54 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 1.127 ' HD2' ' HB3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -72.7 52.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.728 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.816 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 1.052 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.933 ' O ' HG13 ' A' ' 12' ' ' ILE . 51.9 t -96.07 -45.12 7.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.724 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -30.39 71.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.9 t -69.47 -16.71 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.036 ' CD1' HG21 ' A' ' 27' ' ' ILE . 4.3 pt -106.29 0.63 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER 80.95 41.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.669 -179.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -122.88 -164.16 12.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.443 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.903 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -125.55 165.76 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.594 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -114.86 100.31 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.866 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.71 -163.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.772 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.571 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.24 141.81 28.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.914 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.856 ' HG2' ' O ' ' A' ' 36' ' ' GLY . 14.9 pttt -74.84 4.02 7.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.23 24.34 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.51 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -56.11 -107.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.777 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -173.09 -63.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.498 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.777 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.08 27.8 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.685 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -92.7 84.97 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.898 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -30.89 121.92 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.921 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -99.77 148.07 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.036 HG21 ' CD1' ' A' ' 12' ' ' ILE . 11.1 mt -105.6 81.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.491 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.34 -70.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.227 0.537 . . . . 0.0 110.691 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 28' ' ' PHE . 3.9 mt -26.34 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.695 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.052 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.62 161.82 13.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.711 ' O ' ' N ' ' A' ' 9' ' ' CYS . 24.6 m-20 -118.67 175.03 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.982 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.616 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -99.15 -146.89 0.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.258 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.667 ' CG ' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -147.29 -8.27 0.45 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.183 0.516 . . . . 0.0 110.684 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.701 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.2 m-80 -89.12 -18.36 27.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.822 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.701 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.5 m-20 83.87 -22.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.856 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -115.5 -5.26 19.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.052 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.866 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 5.2 mt-30 -107.99 161.47 14.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.781 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.53 -178.8 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.685 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.921 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 24.7 t -89.62 153.54 20.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.903 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.6 t -140.12 151.44 45.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.554 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -70.39 61.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.792 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.855 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.966 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.825 ' HB3' ' HE1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.919 ' O ' HG13 ' A' ' 12' ' ' ILE . 42.5 t -85.44 -50.17 7.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -30.65 70.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.8 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 22.8 t -68.73 -23.19 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.017 ' CD1' HG21 ' A' ' 27' ' ' ILE . 5.1 pt -99.93 0.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.761 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 4.2 t30 81.12 50.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.801 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.793 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -131.07 -176.84 14.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.298 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.805 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -115.03 164.16 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 111.308 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -116.91 99.84 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -107.57 -156.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.44 135.29 33.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.918 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -63.03 -0.51 0.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.408 179.648 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.549 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t70 -128.79 26.17 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.627 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -48.57 -112.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.81 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.99 -64.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.46 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -127.68 28.92 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.877 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.62 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -102.68 67.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.763 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.856 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -16.82 131.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.894 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -102.69 151.38 22.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.017 HG21 ' CD1' ' A' ' 12' ' ' ILE . 10.0 mt -106.86 82.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -39.11 -71.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.168 0.509 . . . . 0.0 110.774 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' C ' ' O ' ' A' ' 28' ' ' PHE . 2.5 mt -23.27 -49.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.649 ' HB2' HD13 ' A' ' 12' ' ' ILE . . . -99.09 160.64 14.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.694 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -119.27 -176.58 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.704 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.765 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -99.22 -150.8 0.38 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.204 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.825 ' HE1' ' HB3' ' A' ' 8' ' ' ASP . 2.5 m-85 -146.15 -6.98 0.55 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.337 0.589 . . . . 0.0 110.418 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -89.25 -114.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.772 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -152.9 -32.53 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.412 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -125.2 13.02 7.53 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.865 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.765 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 1.7 mm100 -106.84 143.53 34.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 111.051 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.918 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -124.01 -173.72 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.605 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.902 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 11.7 t -89.67 148.49 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.856 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 53.9 t -140.52 155.49 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.601 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 2.8 mtm180 -73.05 46.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.419 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.793 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.742 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 120.821 0.344 . . . . 0.0 111.106 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.044 ' CA ' HD11 ' A' ' 12' ' ' ILE . 36.1 t -112.47 -48.51 3.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.835 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.38 -27.27 63.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.416 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.56 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -74.4 0.5 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 110.633 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.044 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.68 5.02 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.63 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 51.3 t30 80.82 38.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.715 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' CD ' ' A' ' 42' ' ' LYS . . . -123.43 173.0 16.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.298 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.915 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.6 p -105.37 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.756 0.312 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -119.94 101.81 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.715 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -113.0 -152.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.758 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -88.47 142.71 27.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 -179.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.856 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.93 0.91 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.566 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -129.9 28.58 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.692 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.49 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.91 -110.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.785 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.19 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.429 . . . . 0.0 111.606 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.785 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -127.38 28.81 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -98.6 74.26 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.855 ' HD3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -26.38 127.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.928 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.68 154.17 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.051 HG22 ' H ' ' A' ' 30' ' ' ALA . 40.2 mt -99.83 95.72 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.642 ' CD2' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.0 19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.691 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.1 mt -126.32 -38.52 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 111.351 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.051 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.05 134.11 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' CYS . 2.9 m-20 -101.98 173.15 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.855 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -99.37 -158.72 0.69 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.197 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.416 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 3.4 m-85 -139.55 -7.28 1.3 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.413 0.625 . . . . 0.0 110.299 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.807 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.7 m-80 -89.38 -19.27 25.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.822 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.807 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER 88.01 -21.46 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.509 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.813 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -118.21 -2.47 15.77 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.254 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.855 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 4.0 mt-30 -106.15 148.96 27.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.728 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.857 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -119.02 178.22 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.928 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 1.8 t -89.62 148.35 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.499 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.915 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 12.0 t -140.29 143.75 36.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.855 ' HD2' ' HD3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -61.82 70.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.728 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.12 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.911 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.025 0.44 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.86 ' O ' HG13 ' A' ' 12' ' ' ILE . 50.4 t -101.42 -43.17 6.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.737 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -30.35 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.332 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 m -74.21 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.86 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -109.84 0.85 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.035 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.744 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 3.4 t-20 80.16 36.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.766 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.799 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.36 -175.15 15.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.395 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.907 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.7 p -111.52 164.86 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.599 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -126.43 105.97 9.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.221 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.757 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -118.08 -155.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.782 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.489 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -90.16 146.21 24.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.868 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -72.43 15.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.743 179.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.589 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.25 18.96 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -41.63 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.579 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.96 -64.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.83 35.7 4.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.08 -179.239 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.8 t -110.47 74.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.81 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -24.03 131.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.901 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.03 150.36 22.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.055 HG22 ' H ' ' A' ' 30' ' ' ALA . 36.8 mt -100.07 93.72 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.76 24.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.403 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.66 ' H ' ' C ' ' A' ' 27' ' ' ILE . 7.3 mt -130.28 -37.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 111.248 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.055 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.34 141.15 32.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 m-20 -103.27 170.66 7.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.618 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 1.2 m -98.97 -148.18 0.34 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.107 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.504 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -144.21 -10.22 0.66 Allowed 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.236 0.541 . . . . 0.0 110.727 -179.649 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.786 ' ND2' HE21 ' A' ' 37' ' ' GLN . 23.6 m-80 -89.44 -19.81 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 11.3 t0 86.43 -20.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.613 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.773 ' C ' ' HD3' ' A' ' 19' ' ' LYS . . . -115.92 -3.78 19.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.371 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.786 HE21 ' ND2' ' A' ' 34' ' ' ASN . 39.1 mt-30 -107.03 146.82 30.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.361 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.868 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.0 174.64 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.901 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.0 t -89.73 151.14 21.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.907 ' HB3' HG13 ' A' ' 15' ' ' VAL . 49.2 t -140.09 149.41 43.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.484 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.523 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -71.08 58.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.779 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.891 ' CD ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 120.86 0.362 . . . . 0.0 111.076 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.912 ' O ' HG13 ' A' ' 12' ' ' ILE . 46.2 t -72.15 -49.1 38.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.08 -33.67 73.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.274 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.46 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 6.0 t -65.38 -22.73 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.182 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.912 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.0 pt -99.94 1.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 0.0 111.283 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.691 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 10.0 t30 81.27 41.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.716 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.702 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -122.56 175.76 16.47 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.165 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.852 HG13 ' HB2' ' A' ' 40' ' ' CYS . 13.2 p -109.42 166.49 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.238 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.823 ' SG ' ' HB2' ' A' ' 37' ' ' GLN . 50.1 t -118.06 101.26 8.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.83 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -112.85 -157.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -88.76 134.97 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.799 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.829 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -68.99 10.45 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -139.89 25.99 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.564 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -49.22 -104.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.643 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.797 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.53 -64.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.797 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -127.01 21.96 6.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.774 -179.323 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 18.1 t -94.35 94.56 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.761 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 1.11 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 10.8 mtt85 -41.9 128.87 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.887 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 10.5 tt0 -99.92 150.75 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.906 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 12.1 mt -107.97 83.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -42.19 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 110.566 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.2 mt -29.22 -47.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 9' ' ' CYS . . . -99.33 146.38 26.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.082 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 1.1 m-20 -108.97 -175.27 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.794 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.05 -141.88 0.32 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.921 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.47 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -161.33 -5.29 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.359 0.599 . . . . 0.0 110.304 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.854 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 19.0 m-80 -89.63 -19.29 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.854 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 1.1 m-20 89.71 -19.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.64 2.47 9.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.83 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 14.2 mt-30 -118.04 159.44 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.829 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -123.22 -172.47 2.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.906 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 6.2 t -89.59 148.02 23.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.852 ' HB2' HG13 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -137.43 150.64 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.443 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 1.11 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.8 45.67 0.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.612 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.702 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.623 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.827 0.346 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.859 ' O ' HG13 ' A' ' 12' ' ' ILE . 30.0 t -66.97 -50.7 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -30.71 71.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.623 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -72.33 -11.01 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.389 . . . . 0.0 110.9 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.859 HG13 ' O ' ' A' ' 9' ' ' CYS . 1.1 pp -108.77 3.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.559 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 60.4 t30 80.91 37.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.991 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.866 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -120.99 170.74 14.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.098 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.953 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 7.6 p -103.18 158.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -113.32 97.57 6.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 111.281 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.855 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 5.3 tpp180 -105.19 -172.64 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.369 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.855 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -78.64 129.64 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 110.684 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 1.023 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -57.63 7.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.697 ' H ' ' C ' ' A' ' 18' ' ' HIS . 1.1 t0 -138.24 21.62 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.331 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.583 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.7 m -43.78 -109.45 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.809 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.23 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.693 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.809 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -128.05 36.52 4.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.065 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.625 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.0 t -110.94 69.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.807 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -16.66 131.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.927 ' HB2' ' HD3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -102.96 155.35 18.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.098 HG22 ' H ' ' A' ' 30' ' ' ALA . 50.2 mt -102.03 87.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.64 14.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.591 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.731 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -118.14 -43.28 2.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.098 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.45 138.84 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -97.08 173.37 7.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.798 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.31 -145.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.688 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.499 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.4 OUTLIER -147.94 -9.84 0.39 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.186 0.517 . . . . 0.0 110.803 -179.404 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 21.0 m-80 -89.18 -18.15 27.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.057 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.8 t0 82.35 -21.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.348 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 19' ' ' LYS . . . -113.13 -8.2 20.2 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.984 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.844 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 4.9 mt-30 -111.61 146.8 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 1.023 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.73 -177.31 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.895 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.4 t -89.78 149.97 22.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.756 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.923 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 49.0 t -136.82 151.58 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.624 ' O ' ' O ' ' A' ' 42' ' ' LYS . 1.4 mtm180 -69.87 61.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.953 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.78 ' OD2' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 120.794 0.331 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.898 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.7 t -65.87 -48.27 72.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.22 -32.46 71.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.058 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.78 ' HB3' ' OD2' ' A' ' 8' ' ' ASP . 91.9 p -68.52 -22.48 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.901 ' CD1' HG21 ' A' ' 27' ' ' ILE . 4.6 pt -99.68 -1.72 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.443 HD22 ' HA ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER 81.14 44.75 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.154 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.67 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.55 -163.78 12.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.199 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.883 ' HB ' ' CE ' ' A' ' 42' ' ' LYS . 14.3 p -125.64 161.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 111.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.68 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -121.53 103.0 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.102 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.958 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 7.1 tpp85 -111.51 -151.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.958 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 136.58 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.953 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -60.48 2.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.549 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' A' ' 21' ' ' THR . 2.4 t0 -134.3 24.34 3.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.461 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.772 HG23 ' HG2' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -40.31 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.551 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.809 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.43 -65.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.491 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.809 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -132.1 29.79 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.909 -179.347 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.644 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.3 t -100.54 69.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 1.036 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.65 130.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.884 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -100.2 144.73 28.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.065 -179.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.024 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 mt -102.63 86.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.487 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.32 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.155 0.502 . . . . 0.0 110.875 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -26.41 -44.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.941 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.597 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -98.96 153.92 18.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.945 0.403 . . . . 0.0 111.53 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.99 -179.17 3.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.635 ' SG ' ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.44 -145.42 0.33 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.172 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.533 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 m-85 -151.55 -9.13 0.22 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.357 0.599 . . . . 0.0 110.378 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.639 ' ND2' HE21 ' A' ' 37' ' ' GLN . 29.1 m-80 -89.74 -131.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.791 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.485 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 m-20 -138.64 -18.35 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.29 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.771 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -135.57 13.83 4.23 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.984 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.79 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 1.7 mt-30 -109.56 145.72 35.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.953 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -128.95 -175.61 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.687 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.024 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 24.8 t -89.82 147.31 23.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.026 0.441 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.905 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 18.6 t -140.59 155.61 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 1.036 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -74.11 49.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 110.715 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.883 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.858 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 110.641 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.048 ' CA ' HD11 ' A' ' 12' ' ' ILE . 53.2 t -116.43 -43.7 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.835 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -27.29 64.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.445 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.478 ' N ' HD13 ' A' ' 12' ' ' ILE . 40.2 t -73.74 -0.93 17.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.04 0.448 . . . . 0.0 110.407 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.048 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -124.46 2.04 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.89 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 0.4 OUTLIER 80.86 46.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.872 ' N ' ' HE2' ' A' ' 42' ' ' LYS . . . -129.14 -175.23 13.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.247 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.898 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.8 p -115.44 158.94 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -110.98 92.54 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.853 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 3.5 mmt180 -103.88 -154.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.45 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -90.27 154.8 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.009 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 1.039 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -83.25 -0.98 51.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.188 179.37 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -131.05 28.36 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.274 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.501 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.71 -113.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.831 -179.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.787 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.538 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.787 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -127.67 34.57 4.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.884 -179.332 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.0 t -108.61 68.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.891 ' HB2' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -13.68 132.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.766 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.64 151.86 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.795 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.944 ' CG2' ' HB3' ' A' ' 30' ' ' ALA . 9.9 mt -114.65 85.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -43.92 -68.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 110.533 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -33.95 -43.6 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.421 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.944 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -99.03 149.67 22.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.236 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.672 ' O ' ' N ' ' A' ' 9' ' ' CYS . 5.7 m-20 -117.34 -177.59 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.812 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -99.09 -164.48 1.13 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.865 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.679 ' CD2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -137.26 -5.07 1.85 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.574 0.702 . . . . 0.0 109.945 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.599 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 37.3 m-80 -89.65 -23.41 21.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.8 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 18.7 t0 92.69 -28.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.714 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.799 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -114.04 -1.25 23.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.392 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.853 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 13.4 mt-30 -109.76 160.43 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 1.039 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.5 179.91 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.82 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 10.7 t -89.83 148.86 22.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.898 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -140.17 151.28 45.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.891 ' HG3' ' HB2' ' A' ' 25' ' ' ARG . 84.7 mtt180 -71.71 61.25 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.89 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 1.6 mptp? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.907 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.803 0.335 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.03 ' CA ' HD11 ' A' ' 12' ' ' ILE . 9.0 t -109.68 -49.51 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -27.79 65.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.658 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.841 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 20.1 m -74.67 1.02 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.659 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.03 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -123.61 4.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER 80.77 41.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.948 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.754 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -121.86 167.32 14.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.21 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.029 HG12 ' O ' ' A' ' 40' ' ' CYS . 11.7 p -103.9 154.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.688 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -106.26 83.5 1.9 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.745 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -101.4 -160.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.741 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.481 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.23 140.65 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.938 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -70.3 7.53 1.0 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -134.74 21.89 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -47.79 -109.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.727 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.818 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.32 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.46 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.818 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.14 36.17 4.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.834 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.619 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.6 t -104.62 70.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.763 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.903 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -17.13 125.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.781 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.846 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.0 154.37 18.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.102 HG22 ' H ' ' A' ' 30' ' ' ALA . 23.5 mt -104.18 87.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.71 18.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.244 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.706 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -120.8 -40.27 2.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.008 0.432 . . . . 0.0 111.471 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.102 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.02 149.45 22.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.27 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 9' ' ' CYS . 41.0 m-20 -105.95 170.01 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.708 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.14 -149.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.361 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 m-85 -143.96 -9.31 0.7 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.244 0.545 . . . . 0.0 110.699 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.776 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 25.0 m-80 -89.05 -19.61 25.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.037 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.776 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 84.18 -19.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.524 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.591 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -119.66 -2.55 12.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.225 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.745 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -111.43 149.93 30.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.65 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.938 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.76 178.95 4.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.111 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.942 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -89.78 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.066 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 1.029 ' O ' HG12 ' A' ' 15' ' ' VAL . 6.4 t -140.93 122.74 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.651 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -37.88 80.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.816 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.708 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.899 0.38 . . . . 0.0 111.093 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.887 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.9 t -100.22 -47.8 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -29.21 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.503 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.39 -9.37 58.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.633 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.887 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -109.96 3.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.13 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.666 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER 80.73 36.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.852 ' CA ' ' HE3' ' A' ' 42' ' ' LYS . . . -117.56 -168.35 14.55 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.045 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.024 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.4 p -123.21 158.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.329 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.527 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -115.14 101.83 9.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.317 -179.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.759 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -114.93 -157.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.637 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.759 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.35 150.45 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 1.003 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.67 -3.51 31.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -126.76 26.02 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.691 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.536 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.5 m -48.14 -111.08 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.788 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -64.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.815 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.788 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.09 19.97 6.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.298 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.618 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.2 t -93.07 59.38 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.717 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.786 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 1.5 ttm180 -11.84 131.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.893 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.35 153.85 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.676 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.047 HG22 ' H ' ' A' ' 30' ' ' ALA . 27.5 mt -100.0 90.6 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.179 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.55 12.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.376 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.737 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.8 mt -115.69 -44.06 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.916 0.389 . . . . 0.0 111.441 -179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.047 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.6 161.31 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.146 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.2 m-20 -123.3 -178.5 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.859 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -99.57 -148.51 0.35 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.382 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.646 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 5.0 m-85 -147.36 -9.88 0.43 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 21.9 m-80 -89.58 -19.49 24.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.158 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.7 OUTLIER 87.17 -18.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -116.32 -5.57 16.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.264 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.859 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.8 mt-30 -109.1 149.9 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 1.003 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.22 179.93 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.893 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.7 t -89.74 147.55 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 1.024 ' HB3' HG13 ' A' ' 15' ' ' VAL . 44.0 t -140.14 147.69 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -72.06 55.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.926 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.881 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 120.801 0.334 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.934 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.0 t -102.07 -48.28 4.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -32.99 72.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.344 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.499 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 41.3 t -69.38 -20.43 63.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.116 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.934 HG13 ' O ' ' A' ' 9' ' ' CYS . 4.7 pt -100.16 1.32 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER 81.11 42.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.682 -179.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.516 ' HA2' ' HD3' ' A' ' 42' ' ' LYS . . . -124.26 174.03 16.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.343 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.854 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 7.4 p -110.17 153.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 111.318 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -104.41 95.2 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.866 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -110.84 -161.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -87.81 136.36 32.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.847 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.37 2.81 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.791 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.8 t0 -131.2 23.52 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.709 HG21 ' HD2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -46.59 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.768 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.07 -64.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.808 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.35 39.49 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.867 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.9 t -110.36 67.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.891 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -16.13 132.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.902 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 tt0 -103.32 145.92 29.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.859 HG22 ' O ' ' A' ' 27' ' ' ILE . 7.7 mt -101.69 82.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.81 -72.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.255 0.55 . . . . 0.0 110.87 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.2 mt -22.49 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.035 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.881 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.76 -179.38 4.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.65 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.91 179.28 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.036 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.778 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.32 -145.6 0.33 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.307 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.5 ' HE2' ' HB3' ' A' ' 8' ' ' ASP . 3.1 m-85 -149.7 -8.86 0.31 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.277 0.561 . . . . 0.0 110.519 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.639 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 25.8 m-80 -89.34 -19.44 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.105 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.639 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 86.49 -22.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.174 -179.487 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.616 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -115.86 -5.46 17.93 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.02 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.866 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 11.6 mt-30 -109.24 156.39 19.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.749 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.847 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.81 179.9 4.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.902 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 9.9 t -89.18 151.48 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.891 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 34.4 t -139.64 153.58 47.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.372 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.717 ' HD2' ' HG3' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -69.93 36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.047 0.451 . . . . 0.0 110.642 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.599 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.009 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.965 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.939 0.399 . . . . 0.0 110.628 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.074 ' CA ' HD11 ' A' ' 12' ' ' ILE . 48.7 t -113.25 -44.17 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.651 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -24.95 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.457 ' N ' HD13 ' A' ' 12' ' ' ILE . 29.1 p -72.94 -3.09 23.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.136 0.493 . . . . 0.0 110.297 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.074 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.83 -0.23 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.915 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.763 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 45.0 t30 80.52 38.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.635 ' CA ' ' HE2' ' A' ' 42' ' ' LYS . . . -114.78 -169.87 16.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.451 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.868 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 8.0 p -120.78 151.56 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.13 95.33 5.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.602 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -113.11 -165.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -83.4 136.91 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.879 ' HE2' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -62.06 -2.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.615 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -129.14 25.45 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.798 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.966 HG23 ' H ' ' A' ' 22' ' ' VAL . 2.5 t -46.2 -98.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.966 ' H ' HG23 ' A' ' 21' ' ' THR . 0.5 OUTLIER -175.93 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.691 -179.763 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.789 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.7 25.2 4.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 -179.285 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.3 t -96.23 73.04 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.931 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -20.29 135.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.874 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.8 tt0 -100.55 151.77 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 33.2 mt -112.05 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.42 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -45.09 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.308 0.575 . . . . 0.0 110.509 179.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mp -34.98 -41.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.835 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.34 154.47 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.738 ' O ' ' N ' ' A' ' 9' ' ' CYS . 73.4 m-20 -122.26 174.3 7.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.219 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.857 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.59 -149.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.67 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -145.99 -8.76 0.54 Allowed 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.238 0.542 . . . . 0.0 110.645 -179.467 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 22.7 m-80 -89.35 -19.07 25.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER 86.42 -26.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.879 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -112.22 -4.64 25.45 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.307 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.857 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.1 mt-30 -111.63 146.02 38.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.3 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.841 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -112.95 179.91 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.874 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 7.2 t -89.72 153.03 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.92 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 4.1 t -140.67 151.28 44.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.641 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.15 51.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.95 0.405 . . . . 0.0 110.604 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.763 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.642 ' OD1' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 120.811 0.339 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.882 ' O ' HG13 ' A' ' 12' ' ' ILE . 27.3 t -77.8 -51.53 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.384 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -27.27 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.468 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.642 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.02 -8.8 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.388 . . . . 0.0 110.721 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.882 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -111.93 4.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.148 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.65 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 14.8 t30 80.78 32.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.598 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -110.93 172.41 15.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.031 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.9 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.7 p -107.5 151.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.79 97.26 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.98 0.419 . . . . 0.0 111.201 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.767 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 1.7 ttm180 -110.79 -161.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.825 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -86.26 142.19 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.774 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.854 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.44 4.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.223 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -134.34 23.01 3.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.648 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.559 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.09 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.766 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.05 -60.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.343 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.766 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -133.87 37.64 3.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.944 -179.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.609 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.6 t -110.91 70.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 1.044 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -18.47 130.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.792 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.896 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -100.51 146.12 27.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.963 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 11.7 mt -100.84 81.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.03 -67.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.499 . . . . 0.0 110.793 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.9 mt -34.37 -45.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.861 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.768 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -98.7 142.77 29.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.602 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.0 m-20 -101.37 178.61 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.815 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.49 -144.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.057 179.371 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.45 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -152.0 -7.93 0.21 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.238 0.542 . . . . 0.0 110.507 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 23.9 m-80 -89.34 -19.6 25.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.114 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 9.0 t0 89.32 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.432 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.561 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -112.04 3.92 27.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.281 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.815 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.6 mt-30 -117.57 150.64 38.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.854 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.21 -179.84 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.963 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 3.1 t -89.88 153.53 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.449 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.9 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -141.35 150.2 42.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.283 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 1.044 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -68.87 65.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 110.782 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.758 ' HE2' ' CA ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 1.074 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.674 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.9 t -102.96 -42.63 5.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.771 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.72 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.286 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -15.98 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.863 HD13 ' HB2' ' A' ' 30' ' ' ALA . 6.8 pt -108.06 -1.31 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.146 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 2.1 t30 80.77 37.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.008 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.903 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -112.91 -162.49 15.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.127 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.975 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 14.7 p -124.9 160.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.489 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -121.75 104.52 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.923 ' NH2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -112.62 -155.24 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.749 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.674 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.24 137.93 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.873 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -59.25 -6.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.677 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.603 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.3 OUTLIER -124.41 25.75 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.603 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.9 m -43.07 -109.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.774 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.821 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.34 -65.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.534 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.821 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.91 38.57 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.975 -179.315 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.624 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -111.42 70.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.848 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -16.73 130.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.926 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -100.73 148.24 25.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.014 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 9.4 mt -100.65 85.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.26 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.61 -71.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.154 0.502 . . . . 0.0 110.94 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' PHE . 2.0 mt -31.08 -41.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.877 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.074 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.95 165.26 11.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.472 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 9' ' ' CYS . 10.8 m-20 -127.27 -179.25 4.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.529 ' C ' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -99.2 -171.29 2.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.847 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -126.35 -5.14 6.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.356 0.598 . . . . 0.0 110.715 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.45 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 23.8 m-80 -88.88 -122.0 0.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.777 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -143.25 -44.71 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.18 21.7 10.77 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.224 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.725 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -111.4 155.39 23.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 111.039 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.926 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -128.99 -178.8 4.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.701 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.014 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 44.0 t -89.99 149.17 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.888 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 41.3 t -140.51 153.52 46.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.728 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.6 51.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.798 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.975 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.797 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.636 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.063 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 40.5 t -115.69 -43.92 2.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.63 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.08 -26.86 63.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.514 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.52 -3.08 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.132 0.491 . . . . 0.0 110.577 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.899 HG12 ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -120.96 1.46 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.889 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.615 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 6.4 t-20 80.39 44.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.583 ' C ' ' HE2' ' A' ' 42' ' ' LYS . . . -125.89 174.27 17.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.448 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.976 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.6 p -104.98 160.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.557 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -121.19 103.07 8.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.68 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.87 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -116.28 -153.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.492 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -90.16 139.22 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 1.05 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -62.54 1.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.758 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.595 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -133.56 19.97 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.471 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.595 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER -34.22 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.827 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -179.62 -65.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.55 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.827 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.3 27.42 5.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.904 -179.278 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.3 t -102.76 76.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.937 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 1.2 mtt180 -24.82 134.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.769 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.31 149.63 24.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.979 HD12 ' SG ' ' A' ' 39' ' ' CYS . 48.7 mt -100.43 96.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.71 28.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.634 ' H ' ' C ' ' A' ' 27' ' ' ILE . 3.4 mt -137.84 -33.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.965 0.412 . . . . 0.0 111.516 -178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.063 ' HB1' ' HA ' ' A' ' 9' ' ' CYS . . . -99.3 136.18 39.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.373 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.722 ' O ' ' N ' ' A' ' 9' ' ' CYS . 95.4 m-20 -97.15 167.69 10.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.551 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 0.8 OUTLIER -99.6 -149.75 0.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.279 179.722 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.511 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -146.77 -8.87 0.47 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.332 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.862 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 26.9 m-80 -89.66 -20.44 23.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.951 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.862 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.6 OUTLIER 86.42 -28.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 -179.698 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -109.94 -1.92 30.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.272 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.87 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 4.2 mt-30 -109.29 161.14 15.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.832 0.349 . . . . 0.0 110.693 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 1.05 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -126.05 178.97 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.979 ' SG ' HD12 ' A' ' 27' ' ' ILE . 6.2 t -89.87 151.12 21.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.976 ' HB3' HG13 ' A' ' 15' ' ' VAL . 35.3 t -140.08 157.2 46.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.937 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 9.4 mtt-85 -74.72 51.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.915 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 p90 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.785 0.326 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -141.5 -179.09 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.635 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -103.7 -174.3 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.007 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 69.77 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.746 ' NH1' ' HG3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -109.2 120.53 45.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 5' ' ' ARG . 70.7 Cg_exo -50.64 -115.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.782 2.321 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.872 HH11 ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -117.13 145.26 43.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.742 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -94.42 -144.14 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.108 ' CA ' HD11 ' A' ' 12' ' ' ILE . 49.8 t -114.64 -43.22 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -28.06 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.186 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -74.49 -0.07 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.108 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -123.1 2.01 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.026 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.75 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 5.3 t-20 80.42 37.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.677 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.719 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.76 -170.69 14.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.515 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.892 HG13 ' HB3' ' A' ' 40' ' ' CYS . 8.3 p -121.25 161.64 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 111.206 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -115.32 100.96 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.741 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -112.42 -161.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.602 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.83 138.05 31.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.829 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.65 -2.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -127.18 22.73 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.602 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -44.52 -105.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.61 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.797 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.29 -65.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.505 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.797 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.26 23.52 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.032 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.642 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -91.35 62.39 4.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.804 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.971 ' HB3' ' HE ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -10.77 128.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.958 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.874 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -99.55 149.44 23.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.775 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.062 HG22 ' H ' ' A' ' 30' ' ' ALA . 48.1 mt -99.97 94.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.305 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 21.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.683 ' H ' ' C ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -130.53 -35.9 1.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.423 -179.008 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.062 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.03 137.59 37.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.966 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.721 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -101.31 172.19 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.595 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -99.62 -147.56 0.34 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.38 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CD1' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -149.23 -9.74 0.32 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.231 -179.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.638 ' O ' ' HB3' ' A' ' 35' ' ' ASP . 28.9 m-80 -89.9 -21.17 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.221 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.638 ' HB3' ' O ' ' A' ' 34' ' ' ASN . 10.2 t70 88.78 -25.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.563 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.776 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -111.1 -5.58 26.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.29 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.741 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 2.5 mt-30 -105.98 162.12 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.928 0.394 . . . . 0.0 110.826 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.874 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -127.39 179.2 5.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.945 ' SG ' HD12 ' A' ' 27' ' ' ILE . 7.7 t -89.32 148.86 23.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.892 ' HB3' HG13 ' A' ' 15' ' ' VAL . 39.6 t -139.91 149.8 43.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.971 ' HE ' ' HB3' ' A' ' 25' ' ' ARG . 6.7 mtm180 -70.98 58.52 0.22 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.779 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.719 ' HE3' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.466 ' HB3' ' H ' ' A' ' 2' ' ' VAL . 2.7 m-30 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 2' ' ' VAL . 13.8 p -126.5 35.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.537 ' O ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 37.06 -165.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -108.69 -27.55 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.636 ' HG3' ' HD2' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -119.82 162.82 31.06 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.429 . . . . 0.0 111.04 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.636 ' HD2' ' HG3' ' A' ' 5' ' ' ARG . 43.3 Cg_endo -67.89 -114.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.811 2.341 . . . . 0.0 112.19 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.821 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -111.13 133.27 53.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.801 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.798 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -69.81 174.91 4.69 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.16 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.909 ' O ' HG13 ' A' ' 12' ' ' ILE . 47.0 t -95.06 -48.89 5.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -32.47 70.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.701 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.671 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -70.15 -21.32 63.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.854 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.909 HG13 ' O ' ' A' ' 9' ' ' CYS . 6.2 pt -99.71 -2.08 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.744 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 49.7 t30 80.37 42.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -117.65 -168.97 14.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.833 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.9 p -121.54 154.1 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -110.74 97.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -111.36 -155.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.759 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 139.61 30.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.889 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.31 -0.58 1.31 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.59 ' O ' ' O ' ' A' ' 21' ' ' THR . 5.5 t0 -129.2 23.59 5.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.59 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.55 -107.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.815 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.11 -65.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.764 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.815 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -128.07 26.66 5.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.059 -179.063 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 25' ' ' ARG . 3.8 t -100.61 67.07 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.877 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 27.7 mtt85 -16.6 136.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.947 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 2.9 tt0 -105.17 148.41 26.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.836 HG21 ' CD1' ' A' ' 12' ' ' ILE . 8.1 mt -103.41 84.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -40.07 -73.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.065 0.46 . . . . 0.0 110.816 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.727 ' HB3' HH11 ' A' ' 7' ' ' ARG . 1.3 mt -23.44 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.614 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.821 ' HA ' ' O ' ' A' ' 7' ' ' ARG . . . -99.33 166.54 11.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' ARG . 93.2 m-20 -126.6 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.55 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.79 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.06 -153.82 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.111 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.671 ' HD1' ' O ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -144.74 -5.31 0.73 Allowed 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 110.384 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.692 ' ND2' ' NE2' ' A' ' 37' ' ' GLN . 19.9 m-80 -88.92 -107.94 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.809 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.82 -34.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.247 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -124.81 15.8 7.43 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.793 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.79 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.4 mt-30 -109.63 145.44 36.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 111.089 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.947 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -122.81 -177.65 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.9 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 13.2 t -89.67 147.54 23.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.149 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.877 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 13.3 t -140.57 152.73 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.498 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.58 54.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.849 0.357 . . . . 0.0 110.729 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.751 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.855 0.36 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.88 145.43 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.21 131.18 34.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 -39.57 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 5' ' ' ARG . 0.7 OUTLIER -135.21 147.09 60.88 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.29 -87.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.719 2.279 . . . . 0.0 112.226 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.526 ' HE ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -149.62 139.02 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.727 ' OD2' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -64.4 154.77 34.6 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.058 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.857 ' O ' HG13 ' A' ' 12' ' ' ILE . 53.5 t -69.53 -47.21 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -31.93 73.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.727 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 32.5 t -73.83 -13.4 60.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.796 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.907 HD11 ' SG ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -103.43 1.91 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.997 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.732 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 5.8 t30 79.36 33.7 0.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.715 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.588 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -118.46 -176.02 16.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.426 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.859 HG13 ' HB2' ' A' ' 40' ' ' CYS . 11.3 p -112.78 164.18 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.534 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -117.6 98.17 6.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.789 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.34 -158.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.22 139.97 30.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.837 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 3.9 ptmt -73.78 6.96 2.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.1 t70 -133.73 21.21 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.5 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -51.51 -111.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.77 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.38 -63.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.066 0.46 . . . . 0.0 111.63 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.77 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -125.3 35.68 4.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.929 -179.293 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.649 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 37.8 t -108.24 77.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.796 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.866 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -22.96 123.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.202 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.897 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.29 144.62 29.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.826 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.97 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 20.6 mt -101.42 81.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.216 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -41.01 -67.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 110.791 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt -29.71 -48.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.68 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.05 149.03 23.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' CYS . 1.2 m-20 -107.7 179.62 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.868 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.15 -147.3 0.33 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.037 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.412 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -146.56 -9.7 0.48 Allowed 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.251 0.548 . . . . 0.0 110.534 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.585 ' HB2' ' HG3' ' A' ' 37' ' ' GLN . 27.9 m-80 -89.53 -19.3 25.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.821 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.5 t0 87.57 -27.04 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.345 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.749 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -110.8 -6.32 26.66 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.938 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.868 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.7 mt-30 -107.77 152.36 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.623 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.837 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.3 -177.47 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.733 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.97 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 4.2 t -89.15 151.65 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.866 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 1.1 m -140.4 148.73 41.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.501 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.754 ' HD2' ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.42 54.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.758 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.789 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.648 ' O ' ' HD1' ' A' ' 1' ' ' PHE . 9.1 p90 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.745 0.307 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.806 HG12 ' O ' ' A' ' 2' ' ' VAL . 82.8 t -125.18 52.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -122.94 126.59 47.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.51 78.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -114.98 117.86 41.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.95 172.85 0.24 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.611 2.207 . . . . 0.0 112.053 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.942 ' CZ ' ' HB3' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -40.05 131.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.62 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.3 157.16 8.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.925 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.9 t -81.45 -53.08 6.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -26.86 68.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.67 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.62 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 40.1 t -69.08 -22.77 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.925 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.3 pt -99.78 0.3 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.852 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.725 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 27.9 t30 81.19 42.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.742 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.591 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -117.21 -173.41 16.53 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.277 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.973 HG13 ' HB3' ' A' ' 40' ' ' CYS . 5.7 p -117.73 163.64 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 37' ' ' GLN . 47.0 t -119.88 103.11 9.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.982 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 5.7 mtt-85 -113.49 -157.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.598 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.09 135.13 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.982 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.1 -2.84 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.384 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.37 25.58 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.433 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.598 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -44.92 -108.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.801 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.22 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 111.561 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.801 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.87 27.6 5.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.097 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.982 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 4.3 t -100.77 68.56 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.743 ' HB3' ' CZ ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -19.27 129.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 1.019 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 5.3 tt0 -100.55 153.7 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.113 HG22 ' H ' ' A' ' 30' ' ' ALA . 38.6 mt -99.67 87.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.13 13.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.616 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.942 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 2.6 mt -117.61 -43.71 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.843 0.354 . . . . 0.0 111.412 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.113 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.85 145.16 28.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.772 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -99.41 -179.01 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.896 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.06 -138.72 0.31 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.917 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.471 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.0 OUTLIER -160.4 -8.28 0.05 Allowed 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.197 0.522 . . . . 0.0 110.37 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.754 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 21.3 m-80 -89.92 -20.03 23.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.895 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.754 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.6 m-20 89.64 -24.75 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.63 -0.16 21.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.821 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt-30 -115.58 158.68 22.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.781 0.325 . . . . 0.0 110.976 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 1.019 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -121.44 -179.68 4.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.726 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.834 ' SG ' HD12 ' A' ' 27' ' ' ILE . 6.5 t -90.01 148.2 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.307 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.973 ' HB3' HG13 ' A' ' 15' ' ' VAL . 49.9 t -137.04 152.98 50.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.353 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.743 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.3 mtm180 -72.59 52.18 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 0.0 110.704 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.902 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 p90 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.891 0.377 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 4' ' ' HIS . 16.4 t -145.55 155.27 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.407 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -55.04 79.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.548 ' N ' ' O ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER -123.56 -56.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.693 ' NH2' ' OH ' ' A' ' 33' ' ' TYR . 32.4 ttp180 -100.61 146.6 32.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.875 ' C ' ' HG3' ' A' ' 7' ' ' ARG . 85.8 Cg_endo -83.36 43.74 1.5 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.033 2.488 . . . . 0.0 112.569 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.875 ' HG3' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 50.73 155.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.972 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 1.069 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -98.53 -160.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.101 0.477 . . . . 0.0 110.786 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.9 ' O ' HG13 ' A' ' 12' ' ' ILE . 31.8 t -98.88 -43.06 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.007 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -20.09 62.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.9 HG13 ' O ' ' A' ' 9' ' ' CYS . 5.9 pt -99.91 -1.38 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.066 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.634 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 9.7 t30 80.53 36.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.619 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.741 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -116.03 -159.2 11.81 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.385 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.999 HG21 ' NH2' ' A' ' 17' ' ' ARG . 7.5 p -127.45 164.22 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 111.188 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.609 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -124.12 104.63 8.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.999 ' NH2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -113.61 -152.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.488 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.49 146.05 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.95 0.405 . . . . 0.0 110.814 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.915 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -68.07 -4.51 13.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.703 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -126.49 26.12 6.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.748 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.597 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.68 -108.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.807 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.89 -64.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.49 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.807 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -130.46 33.42 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.977 -179.267 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.646 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.3 t -107.11 65.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.835 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 1.127 ' HB3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.09 131.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.761 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.909 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -99.96 156.05 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.141 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.977 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 4.6 mt -111.46 83.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.24 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.207 0.527 . . . . 0.0 110.9 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -26.34 -44.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.88 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.069 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.82 162.21 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.487 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.779 ' CG ' ' HG2' ' A' ' 6' ' ' PRO . 1.6 m-20 -125.47 179.34 5.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.033 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.01 -156.98 0.57 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.143 179.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.693 ' OH ' ' NH2' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -139.01 -6.46 1.43 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -179.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -88.9 -118.51 0.05 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.774 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.17 -31.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.62 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.742 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -125.87 14.52 7.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.984 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.678 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 2.0 mt-30 -109.0 142.76 39.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.915 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.97 -173.46 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.679 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.977 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 21.5 t -91.3 148.93 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.24 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.943 ' HB3' HG13 ' A' ' 15' ' ' VAL . 42.6 t -140.59 152.33 45.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.54 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.127 ' HD2' ' HB3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -72.7 52.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.728 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.816 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.643 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.832 0.348 . . . . 0.0 111.208 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 2' ' ' VAL . 2.1 p -96.26 55.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.634 ' HG2' HH12 ' A' ' 5' ' ' ARG . 1.6 mt-30 -76.42 62.12 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -101.71 88.42 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.076 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.634 HH12 ' HG2' ' A' ' 3' ' ' GLN . 1.9 mtm-85 -93.81 159.68 34.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.597 ' O ' ' C ' ' A' ' 7' ' ' ARG . 40.1 Cg_endo -67.16 107.33 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.78 2.32 . . . . 0.0 112.448 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.597 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -20.87 139.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 1.052 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -93.01 -159.98 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.718 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.933 ' O ' HG13 ' A' ' 12' ' ' ILE . 51.9 t -96.07 -45.12 7.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.724 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -30.39 71.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.9 t -69.47 -16.71 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.036 ' CD1' HG21 ' A' ' 27' ' ' ILE . 4.3 pt -106.29 0.63 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 0.4 OUTLIER 80.95 41.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.669 -179.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -122.88 -164.16 12.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.443 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.903 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -125.55 165.76 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.594 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -114.86 100.31 8.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.866 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.71 -163.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.772 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.571 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.24 141.81 28.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.914 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.856 ' HG2' ' O ' ' A' ' 36' ' ' GLY . 14.9 pttt -74.84 4.02 7.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.23 24.34 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.51 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -56.11 -107.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.777 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -173.09 -63.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.498 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.777 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.08 27.8 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.685 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -92.7 84.97 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.898 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -30.89 121.92 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.921 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -99.77 148.07 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.036 HG21 ' CD1' ' A' ' 12' ' ' ILE . 11.1 mt -105.6 81.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.308 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.491 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.34 -70.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.227 0.537 . . . . 0.0 110.691 179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 28' ' ' PHE . 3.9 mt -26.34 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.695 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.052 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.62 161.82 13.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.711 ' O ' ' N ' ' A' ' 9' ' ' CYS . 24.6 m-20 -118.67 175.03 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.982 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.616 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -99.15 -146.89 0.33 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.258 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.667 ' CG ' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -147.29 -8.27 0.45 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.183 0.516 . . . . 0.0 110.684 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.701 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.2 m-80 -89.12 -18.36 27.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.822 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.701 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 83.5 m-20 83.87 -22.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.856 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -115.5 -5.26 19.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.052 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.866 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 5.2 mt-30 -107.99 161.47 14.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.708 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.781 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.53 -178.8 4.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.685 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.921 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 24.7 t -89.62 153.54 20.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.903 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 1.6 t -140.12 151.44 45.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.554 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -70.39 61.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.792 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.855 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.966 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.43 ' HB3' ' H ' ' A' ' 2' ' ' VAL . 2.3 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.884 0.374 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.43 ' H ' ' HB3' ' A' ' 1' ' ' PHE . 3.9 t -106.8 110.43 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.577 ' HG3' ' H ' ' A' ' 4' ' ' HIS . 21.9 tp60 -124.14 171.08 10.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.577 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 4.5 t-80 -116.82 106.75 13.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.725 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -128.21 129.16 23.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.66 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 39.7 Cg_exo -60.43 141.27 95.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.837 2.358 . . . . 0.0 112.17 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.718 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -28.17 135.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.825 ' HB3' ' HE1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.33 167.16 18.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.175 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.919 ' O ' HG13 ' A' ' 12' ' ' ILE . 42.5 t -85.44 -50.17 7.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.789 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -30.65 70.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.8 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 22.8 t -68.73 -23.19 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.017 ' CD1' HG21 ' A' ' 27' ' ' ILE . 5.1 pt -99.93 0.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.761 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 4.2 t30 81.12 50.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.801 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.793 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -131.07 -176.84 14.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.298 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.805 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.0 p -115.03 164.16 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 111.308 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -116.91 99.84 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -107.57 -156.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.44 135.29 33.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.918 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -63.03 -0.51 0.72 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.408 179.648 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.549 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t70 -128.79 26.17 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.627 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -48.57 -112.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.81 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -175.99 -64.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.46 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -127.68 28.92 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.877 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.62 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -102.68 67.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.763 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.856 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -16.82 131.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.894 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -102.69 151.38 22.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.017 HG21 ' CD1' ' A' ' 12' ' ' ILE . 10.0 mt -106.86 82.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -39.11 -71.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.168 0.509 . . . . 0.0 110.774 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 2.5 mt -23.27 -49.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.693 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.718 ' HA ' ' O ' ' A' ' 7' ' ' ARG . . . -99.09 160.64 14.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.694 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.66 ' OD2' ' HG2' ' A' ' 6' ' ' PRO . 75.0 m-20 -119.27 -176.58 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.704 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.765 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -99.22 -150.8 0.38 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.204 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.825 ' HE1' ' HB3' ' A' ' 8' ' ' ASP . 2.5 m-85 -146.15 -6.98 0.55 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.337 0.589 . . . . 0.0 110.418 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -89.25 -114.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.772 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -152.9 -32.53 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.412 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -125.2 13.02 7.53 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.865 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.765 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 1.7 mm100 -106.84 143.53 34.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 111.051 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.918 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -124.01 -173.72 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.605 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.902 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 11.7 t -89.67 148.49 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.856 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 53.9 t -140.52 155.49 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.601 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 2.8 mtm180 -73.05 46.71 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.419 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.793 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.776 0.322 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -101.4 130.61 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -146.95 -173.63 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -99.93 -57.02 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.715 ' HG3' HH11 ' A' ' 5' ' ' ARG . 0.0 OUTLIER -94.85 160.56 30.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.751 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.498 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 37.2 Cg_endo -66.08 -135.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.763 2.308 . . . . 0.0 112.149 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.594 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -104.19 141.23 36.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.742 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -67.18 -166.01 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.044 ' CA ' HD11 ' A' ' 12' ' ' ILE . 36.1 t -112.47 -48.51 3.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.835 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -71.38 -27.27 63.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.416 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.56 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -74.4 0.5 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 110.633 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.044 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.68 5.02 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.63 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 51.3 t30 80.82 38.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.715 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' CD ' ' A' ' 42' ' ' LYS . . . -123.43 173.0 16.31 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.298 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.915 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 14.6 p -105.37 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.756 0.312 . . . . 0.0 110.966 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -119.94 101.81 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.715 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -113.0 -152.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.758 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -88.47 142.71 27.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 -179.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.856 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.93 0.91 14.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.566 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -129.9 28.58 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.692 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.49 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.91 -110.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.785 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.19 -64.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.429 . . . . 0.0 111.606 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.785 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -127.38 28.81 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.7 t -98.6 74.26 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.855 ' HD3' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -26.38 127.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.928 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.68 154.17 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.051 HG22 ' H ' ' A' ' 30' ' ' ALA . 40.2 mt -99.83 95.72 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.642 ' CD2' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.0 19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.224 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.691 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.1 mt -126.32 -38.52 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 111.351 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.051 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.05 134.11 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.594 ' OD1' ' O ' ' A' ' 7' ' ' ARG . 2.9 m-20 -101.98 173.15 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.855 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -99.37 -158.72 0.69 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.197 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.416 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 3.4 m-85 -139.55 -7.28 1.3 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.413 0.625 . . . . 0.0 110.299 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.807 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 23.7 m-80 -89.38 -19.27 25.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.822 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.807 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER 88.01 -21.46 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.509 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.813 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -118.21 -2.47 15.77 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.254 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.855 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 4.0 mt-30 -106.15 148.96 27.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.728 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.857 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -119.02 178.22 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.928 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 1.8 t -89.62 148.35 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.499 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.915 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 12.0 t -140.29 143.75 36.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.673 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.855 ' HD2' ' HD3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -61.82 70.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.728 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.12 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.454 ' HD1' ' HA ' ' A' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.827 0.346 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 2' ' ' VAL . 11.6 p -129.88 38.52 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -108.6 95.31 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.483 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -95.6 -143.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.536 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -147.55 115.6 4.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.536 ' O ' ' O ' ' A' ' 5' ' ' ARG . 74.9 Cg_exo -49.52 -123.21 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.806 2.337 . . . . 0.0 112.42 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.08 152.56 47.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.911 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -96.35 -158.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.86 ' O ' HG13 ' A' ' 12' ' ' ILE . 50.4 t -101.42 -43.17 6.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.737 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -30.35 70.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.332 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 m -74.21 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.059 0.457 . . . . 0.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.86 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -109.84 0.85 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.035 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.744 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 3.4 t-20 80.16 36.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.766 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.799 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.36 -175.15 15.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.395 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.907 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.7 p -111.52 164.86 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.599 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.7 OUTLIER -126.43 105.97 9.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.221 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.757 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -118.08 -155.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.782 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.489 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -90.16 146.21 24.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.868 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -72.43 15.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.743 179.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.589 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -142.25 18.96 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -41.63 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.579 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.96 -64.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.83 35.7 4.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.08 -179.239 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.8 t -110.47 74.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.81 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -24.03 131.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.901 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.03 150.36 22.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.055 HG22 ' H ' ' A' ' 30' ' ' ALA . 36.8 mt -100.07 93.72 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.76 24.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.403 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.66 ' H ' ' C ' ' A' ' 27' ' ' ILE . 7.3 mt -130.28 -37.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 111.248 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.055 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.34 141.15 32.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 m-20 -103.27 170.66 7.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.618 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 1.2 m -98.97 -148.18 0.34 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.107 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.504 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -144.21 -10.22 0.66 Allowed 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.236 0.541 . . . . 0.0 110.727 -179.649 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.786 ' ND2' HE21 ' A' ' 37' ' ' GLN . 23.6 m-80 -89.44 -19.81 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.82 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 11.3 t0 86.43 -20.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.613 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.773 ' C ' ' HD3' ' A' ' 19' ' ' LYS . . . -115.92 -3.78 19.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.371 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.786 HE21 ' ND2' ' A' ' 34' ' ' ASN . 39.1 mt-30 -107.03 146.82 30.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.361 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.868 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.0 174.64 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.901 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 46.0 t -89.73 151.14 21.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.907 ' HB3' HG13 ' A' ' 15' ' ' VAL . 49.2 t -140.09 149.41 43.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.484 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.523 ' O ' ' OXT' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -71.08 58.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.779 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.891 ' CD ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.917 0.389 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -111.22 -165.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 79.51 38.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.729 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -104.68 -46.6 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -129.77 152.15 79.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.092 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.83 -73.72 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.765 2.31 . . . . 0.0 112.123 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -154.23 135.0 13.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -70.69 152.55 43.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.912 ' O ' HG13 ' A' ' 12' ' ' ILE . 46.2 t -72.15 -49.1 38.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.08 -33.67 73.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.274 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.46 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 6.0 t -65.38 -22.73 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.182 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.912 HG13 ' O ' ' A' ' 9' ' ' CYS . 3.0 pt -99.94 1.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.024 0.44 . . . . 0.0 111.283 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.691 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 10.0 t30 81.27 41.57 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.716 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.702 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -122.56 175.76 16.47 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.165 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.852 HG13 ' HB2' ' A' ' 40' ' ' CYS . 13.2 p -109.42 166.49 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.238 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.823 ' SG ' ' HB2' ' A' ' 37' ' ' GLN . 50.1 t -118.06 101.26 8.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.83 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -112.85 -157.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -88.76 134.97 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.799 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.829 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -68.99 10.45 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -139.89 25.99 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.564 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -49.22 -104.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.643 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.797 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.53 -64.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.797 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -127.01 21.96 6.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.774 -179.323 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 18.1 t -94.35 94.56 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.761 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 1.11 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 10.8 mtt85 -41.9 128.87 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.887 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 10.5 tt0 -99.92 150.75 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.906 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 12.1 mt -107.97 83.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -42.19 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 110.566 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 28' ' ' PHE . 1.2 mt -29.22 -47.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 9' ' ' CYS . . . -99.33 146.38 26.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.082 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 1.1 m-20 -108.97 -175.27 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.794 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.05 -141.88 0.32 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.921 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.47 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -161.33 -5.29 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.359 0.599 . . . . 0.0 110.304 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.854 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 19.0 m-80 -89.63 -19.29 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.854 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 1.1 m-20 89.71 -19.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -123.64 2.47 9.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.363 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.83 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 14.2 mt-30 -118.04 159.44 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.829 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -123.22 -172.47 2.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.906 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 6.2 t -89.59 148.02 23.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.852 ' HB2' HG13 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -137.43 150.64 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.443 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.11 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.8 45.67 0.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.612 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.702 ' HE3' ' C ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.848 0.356 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 m -97.34 -167.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.628 ' HG2' ' HD3' ' A' ' 5' ' ' ARG . 3.3 tt0 68.05 74.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.765 ' C ' ' HD2' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -92.57 64.11 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.765 ' HD2' ' C ' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -134.14 148.18 66.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.47 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 48.0 Cg_exo -55.59 -94.69 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.08 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.703 HH11 ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -131.65 134.69 46.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.623 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -55.68 144.67 26.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.102 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.859 ' O ' HG13 ' A' ' 12' ' ' ILE . 30.0 t -66.97 -50.7 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -30.71 71.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.623 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -72.33 -11.01 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.389 . . . . 0.0 110.9 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.859 HG13 ' O ' ' A' ' 9' ' ' CYS . 1.1 pp -108.77 3.97 9.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.559 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 60.4 t30 80.91 37.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.991 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.866 ' C ' ' HE3' ' A' ' 42' ' ' LYS . . . -120.99 170.74 14.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.098 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.953 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 7.6 p -103.18 158.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.324 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -113.32 97.57 6.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 111.281 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.855 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 5.3 tpp180 -105.19 -172.64 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.369 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.855 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -78.64 129.64 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 110.684 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 1.023 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -57.63 7.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.391 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.697 ' H ' ' C ' ' A' ' 18' ' ' HIS . 1.1 t0 -138.24 21.62 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.331 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.583 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.7 m -43.78 -109.45 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.779 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.809 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.23 -64.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.693 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.809 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -128.05 36.52 4.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.065 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.625 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.0 t -110.94 69.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.807 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -16.66 131.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.927 ' HB2' ' HD3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -102.96 155.35 18.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.098 HG22 ' H ' ' A' ' 30' ' ' ALA . 50.2 mt -102.03 87.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -54.64 14.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.591 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.731 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -118.14 -43.28 2.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.098 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.45 138.84 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -97.08 173.37 7.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.798 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -99.31 -145.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.354 179.688 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.499 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 0.4 OUTLIER -147.94 -9.84 0.39 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.186 0.517 . . . . 0.0 110.803 -179.404 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 21.0 m-80 -89.18 -18.15 27.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.057 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 1.8 t0 82.35 -21.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.348 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 19' ' ' LYS . . . -113.13 -8.2 20.2 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.984 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.844 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 4.9 mt-30 -111.61 146.8 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 1.023 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.73 -177.31 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.895 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.4 t -89.78 149.97 22.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.756 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.923 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 49.0 t -136.82 151.58 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.624 ' O ' ' O ' ' A' ' 42' ' ' LYS . 1.4 mtm180 -69.87 61.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.828 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.953 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.714 ' N ' ' HD1' ' A' ' 1' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.771 0.32 . . . . 0.0 111.224 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.741 HG12 ' N ' ' A' ' 3' ' ' GLN . 74.6 t -148.43 171.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.741 ' N ' HG12 ' A' ' 2' ' ' VAL . 4.0 tt0 55.16 98.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.46 66.75 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -141.02 132.11 13.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.791 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 83.0 Cg_exo -44.99 -95.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.829 2.353 . . . . 0.0 112.34 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.709 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -129.13 138.77 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.78 ' OD2' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER -71.22 151.62 44.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.023 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.898 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.7 t -65.87 -48.27 72.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.22 -32.46 71.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.058 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.78 ' HB3' ' OD2' ' A' ' 8' ' ' ASP . 91.9 p -68.52 -22.48 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.901 ' CD1' HG21 ' A' ' 27' ' ' ILE . 4.6 pt -99.68 -1.72 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.443 HD22 ' HA ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER 81.14 44.75 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.154 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.67 ' C ' ' HD3' ' A' ' 42' ' ' LYS . . . -121.55 -163.78 12.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.199 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.883 ' HB ' ' CE ' ' A' ' 42' ' ' LYS . 14.3 p -125.64 161.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 111.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.68 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -121.53 103.0 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.102 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.958 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 7.1 tpp85 -111.51 -151.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.958 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.21 136.58 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.953 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -60.48 2.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.549 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' A' ' 21' ' ' THR . 2.4 t0 -134.3 24.34 3.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.461 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.772 HG23 ' HG2' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -40.31 -106.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.551 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.809 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.43 -65.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.491 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.809 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -132.1 29.79 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.909 -179.347 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.644 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.3 t -100.54 69.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 1.036 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -14.65 130.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.884 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -100.2 144.73 28.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.065 -179.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.024 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 mt -102.63 86.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.225 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.32 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.155 0.502 . . . . 0.0 110.875 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.648 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -26.41 -44.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.941 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.709 ' HA ' ' O ' ' A' ' 7' ' ' ARG . . . -98.96 153.92 18.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.945 0.403 . . . . 0.0 111.53 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 7' ' ' ARG . 2.4 m-20 -117.99 -179.17 3.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.635 ' SG ' ' C ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.44 -145.42 0.33 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.172 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.533 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 1.7 m-85 -151.55 -9.13 0.22 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.357 0.599 . . . . 0.0 110.378 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.639 ' ND2' HE21 ' A' ' 37' ' ' GLN . 29.1 m-80 -89.74 -131.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.791 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.485 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 m-20 -138.64 -18.35 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.29 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.771 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -135.57 13.83 4.23 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.984 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.79 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 1.7 mt-30 -109.56 145.72 35.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.953 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -128.95 -175.61 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.687 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.024 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 24.8 t -89.82 147.31 23.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.026 0.441 . . . . 0.0 111.201 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.905 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 18.6 t -140.59 155.61 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.036 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -74.11 49.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 110.715 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.883 ' CE ' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.84 0.353 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 p -97.64 157.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -116.1 88.2 2.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 -19.79 18.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 8' ' ' ASP . 9.9 mmm-85 -126.33 94.37 41.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.516 ' C ' ' HG2' ' A' ' 7' ' ' ARG . 52.3 Cg_exo -52.6 -56.56 2.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.413 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.736 ' HD3' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -172.93 152.82 2.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.858 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -98.76 -146.5 0.32 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.641 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.048 ' CA ' HD11 ' A' ' 12' ' ' ILE . 53.2 t -116.43 -43.7 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.835 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -27.29 64.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.445 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.478 ' N ' HD13 ' A' ' 12' ' ' ILE . 40.2 t -73.74 -0.93 17.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.04 0.448 . . . . 0.0 110.407 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.048 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -124.46 2.04 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.89 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 0.4 OUTLIER 80.86 46.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.872 ' N ' ' HE2' ' A' ' 42' ' ' LYS . . . -129.14 -175.23 13.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.247 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.898 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.8 p -115.44 158.94 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -110.98 92.54 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.853 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 3.5 mmt180 -103.88 -154.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.45 ' O ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -90.27 154.8 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.009 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 1.039 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -83.25 -0.98 51.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.188 179.37 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.4 t0 -131.05 28.36 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.274 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.501 ' HB ' ' H ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.71 -113.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.831 -179.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.787 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.538 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.787 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -127.67 34.57 4.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.884 -179.332 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.0 t -108.61 68.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.891 ' HB2' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -13.68 132.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.766 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -99.64 151.86 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.795 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.944 ' CG2' ' HB3' ' A' ' 30' ' ' ALA . 9.9 mt -114.65 85.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -43.92 -68.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 110.533 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.736 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -33.95 -43.6 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.421 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.944 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -99.03 149.67 22.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.236 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.725 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 5.7 m-20 -117.34 -177.59 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.812 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -99.09 -164.48 1.13 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.865 179.671 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.679 ' CD2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -137.26 -5.07 1.85 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.574 0.702 . . . . 0.0 109.945 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.599 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 37.3 m-80 -89.65 -23.41 21.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.8 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 18.7 t0 92.69 -28.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.714 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.799 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -114.04 -1.25 23.9 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.392 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.853 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 13.4 mt-30 -109.76 160.43 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 1.039 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.5 179.91 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.82 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 10.7 t -89.83 148.86 22.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.898 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -140.17 151.28 45.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.891 ' HG3' ' HB2' ' A' ' 25' ' ' ARG . 84.7 mtt180 -71.71 61.25 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.89 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 1.6 mptp? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.823 0.344 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -148.88 42.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -39.77 119.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.686 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -121.47 -60.66 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.638 ' HD3' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -98.66 117.84 63.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 60.9 Cg_exo -51.62 -98.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.75 2.3 . . . . 0.0 112.358 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.434 ' H ' ' HB2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -119.09 148.03 43.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.907 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -71.07 -167.87 0.25 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.21 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.03 ' CA ' HD11 ' A' ' 12' ' ' ILE . 9.0 t -109.68 -49.51 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -27.79 65.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.658 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.841 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 20.1 m -74.67 1.02 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.659 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.03 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -123.61 4.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.938 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 0.5 OUTLIER 80.77 41.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.948 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.754 ' O ' ' HE2' ' A' ' 42' ' ' LYS . . . -121.86 167.32 14.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.21 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.029 HG12 ' O ' ' A' ' 40' ' ' CYS . 11.7 p -103.9 154.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.688 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -106.26 83.5 1.9 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.745 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -101.4 -160.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.741 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.481 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -90.23 140.65 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.001 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.938 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -70.3 7.53 1.0 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -134.74 21.89 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -47.79 -109.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.727 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.818 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -172.32 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.46 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.818 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -129.14 36.17 4.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.834 -179.298 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.619 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.6 t -104.62 70.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.763 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.903 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -17.13 125.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.781 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.846 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -101.0 154.37 18.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.102 HG22 ' H ' ' A' ' 30' ' ' ALA . 23.5 mt -104.18 87.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.71 18.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.244 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.706 ' H ' ' C ' ' A' ' 27' ' ' ILE . 4.3 mt -120.8 -40.27 2.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.008 0.432 . . . . 0.0 111.471 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.102 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.02 149.45 22.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.27 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 9' ' ' CYS . 41.0 m-20 -105.95 170.01 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.708 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -99.14 -149.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.361 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' H ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 m-85 -143.96 -9.31 0.7 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.244 0.545 . . . . 0.0 110.699 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.776 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 25.0 m-80 -89.05 -19.61 25.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.037 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.776 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 84.18 -19.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.524 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.591 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -119.66 -2.55 12.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.225 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.745 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -111.43 149.93 30.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.65 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.938 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.76 178.95 4.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.111 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.942 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 0.9 OUTLIER -89.78 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.066 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 1.029 ' O ' HG12 ' A' ' 15' ' ' VAL . 6.4 t -140.93 122.74 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.651 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -37.88 80.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.816 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' A' ' 3' ' ' GLN . 0.6 OUTLIER -135.48 45.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.464 ' C ' ' O ' ' A' ' 2' ' ' VAL . 3.0 tt0 33.01 46.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -92.45 109.72 21.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -102.18 136.14 19.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.955 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.553 ' HD2' ' OD2' ' A' ' 31' ' ' ASP . 39.1 Cg_exo -56.83 -117.09 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.754 2.303 . . . . 0.0 112.081 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.696 ' HD3' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -101.54 142.53 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.708 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -58.73 173.77 0.39 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.887 ' O ' HG13 ' A' ' 12' ' ' ILE . 43.9 t -100.22 -47.8 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -29.21 67.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.503 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.39 -9.37 58.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.633 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.887 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -109.96 3.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.13 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.666 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER 80.73 36.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.852 ' CA ' ' HE3' ' A' ' 42' ' ' LYS . . . -117.56 -168.35 14.55 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.045 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.024 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.4 p -123.21 158.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.329 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.527 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -115.14 101.83 9.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.317 -179.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.759 ' HG3' ' H ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -114.93 -157.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.637 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.759 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.35 150.45 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 1.003 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -74.67 -3.51 31.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -126.76 26.02 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.691 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.536 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.5 m -48.14 -111.08 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.788 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.65 -64.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.815 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.788 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -128.09 19.97 6.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.298 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.618 ' O ' ' C ' ' A' ' 25' ' ' ARG . 5.2 t -93.07 59.38 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.717 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.786 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 1.5 ttm180 -11.84 131.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.893 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -100.35 153.85 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.676 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.047 HG22 ' H ' ' A' ' 30' ' ' ALA . 27.5 mt -100.0 90.6 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.179 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.55 12.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.376 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.737 ' H ' ' C ' ' A' ' 27' ' ' ILE . 2.8 mt -115.69 -44.06 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.916 0.389 . . . . 0.0 111.441 -179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.047 ' H ' HG22 ' A' ' 27' ' ' ILE . . . -99.6 161.31 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.146 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.2 m-20 -123.3 -178.5 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.859 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -99.57 -148.51 0.35 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.382 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.646 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 5.0 m-85 -147.36 -9.88 0.43 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 21.9 m-80 -89.58 -19.49 24.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.158 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.7 OUTLIER 87.17 -18.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -116.32 -5.57 16.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.264 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.859 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.8 mt-30 -109.1 149.9 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 1.003 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.22 179.93 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.893 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 4.7 t -89.74 147.55 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 1.024 ' HB3' HG13 ' A' ' 15' ' ' VAL . 44.0 t -140.14 147.69 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -72.06 55.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.792 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.926 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 2.7 m-30 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.759 0.314 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.0 t -92.4 117.17 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -126.17 -171.28 2.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.982 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -140.9 -46.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.714 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.764 ' CD ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -93.25 148.86 36.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.767 179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.473 ' HG2' ' OD1' ' A' ' 31' ' ' ASP . 56.5 Cg_endo -70.56 -83.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.206 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.634 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -155.33 148.22 24.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.881 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -73.01 177.49 4.94 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.025 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.934 ' O ' HG13 ' A' ' 12' ' ' ILE . 41.0 t -102.07 -48.28 4.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -32.99 72.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.344 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.499 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 41.3 t -69.38 -20.43 63.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.116 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.934 HG13 ' O ' ' A' ' 9' ' ' CYS . 4.7 pt -100.16 1.32 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER 81.11 42.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.682 -179.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.516 ' HA2' ' HD3' ' A' ' 42' ' ' LYS . . . -124.26 174.03 16.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.343 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.854 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 7.4 p -110.17 153.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 111.318 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -104.41 95.2 5.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.866 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -110.84 -161.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -87.81 136.36 32.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.847 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.37 2.81 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.791 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' A' ' 21' ' ' THR . 1.8 t0 -131.2 23.52 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.709 HG21 ' HD2' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -46.59 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.768 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -174.07 -64.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.808 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.805 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.35 39.49 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.867 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.635 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.9 t -110.36 67.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.891 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -16.13 132.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.902 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.1 tt0 -103.32 145.92 29.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.859 HG22 ' O ' ' A' ' 27' ' ' ILE . 7.7 mt -101.69 82.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' O ' ' O ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.81 -72.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.255 0.55 . . . . 0.0 110.87 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 1.2 mt -22.49 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.035 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.881 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.76 -179.38 4.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.65 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.634 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -137.91 179.28 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.036 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.778 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.32 -145.6 0.33 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.307 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.5 ' HE2' ' HB3' ' A' ' 8' ' ' ASP . 3.1 m-85 -149.7 -8.86 0.31 Allowed 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.277 0.561 . . . . 0.0 110.519 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.639 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 25.8 m-80 -89.34 -19.44 25.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.105 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.639 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER 86.49 -22.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.174 -179.487 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.616 ' O ' ' CG ' ' A' ' 19' ' ' LYS . . . -115.86 -5.46 17.93 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.02 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.866 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 11.6 mt-30 -109.24 156.39 19.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.749 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.847 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -122.81 179.9 4.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.902 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 9.9 t -89.18 151.48 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.891 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 34.4 t -139.64 153.58 47.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.372 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.717 ' HD2' ' HG3' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -69.93 36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.047 0.451 . . . . 0.0 110.642 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.599 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.009 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.834 0.35 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -118.03 145.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.752 HE21 ' N ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -98.69 151.28 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.585 ' H ' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -103.31 -117.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.468 ' H ' ' HB2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -147.77 171.31 6.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 5' ' ' ARG . 71.6 Cg_endo -74.92 -124.04 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.862 2.375 . . . . 0.0 112.536 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.575 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 2.8 mtp85 -106.15 155.2 19.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.965 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -102.71 -147.13 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.628 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.074 ' CA ' HD11 ' A' ' 12' ' ' ILE . 48.7 t -113.25 -44.17 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.651 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -24.95 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.457 ' N ' HD13 ' A' ' 12' ' ' ILE . 29.1 p -72.94 -3.09 23.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.136 0.493 . . . . 0.0 110.297 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.074 HD11 ' CA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -122.83 -0.23 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.915 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.763 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 45.0 t30 80.52 38.77 0.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.635 ' CA ' ' HE2' ' A' ' 42' ' ' LYS . . . -114.78 -169.87 16.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.451 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.868 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 8.0 p -120.78 151.56 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.13 95.33 5.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.602 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 2.0 mtt180 -113.11 -165.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -83.4 136.91 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.879 ' HE2' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -62.06 -2.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.615 179.675 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -129.14 25.45 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.616 179.798 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.966 HG23 ' H ' ' A' ' 22' ' ' VAL . 2.5 t -46.2 -98.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.966 ' H ' HG23 ' A' ' 21' ' ' THR . 0.5 OUTLIER -175.93 -65.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.691 -179.763 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.789 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -131.7 25.2 4.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 -179.285 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.3 t -96.23 73.04 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.931 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -20.29 135.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.874 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 1.8 tt0 -100.55 151.77 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 33.2 mt -112.05 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.42 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -45.09 -66.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.308 0.575 . . . . 0.0 110.509 179.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mp -34.98 -41.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.835 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.34 154.47 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.738 ' O ' ' N ' ' A' ' 9' ' ' CYS . 73.4 m-20 -122.26 174.3 7.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.219 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.857 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -99.59 -149.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.67 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -145.99 -8.76 0.54 Allowed 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.238 0.542 . . . . 0.0 110.645 -179.467 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 22.7 m-80 -89.35 -19.07 25.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER 86.42 -26.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.879 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -112.22 -4.64 25.45 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.307 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.857 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 6.1 mt-30 -111.63 146.02 38.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.731 0.3 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.841 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -112.95 179.91 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.775 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.874 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 7.2 t -89.72 153.03 21.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.92 ' HA ' ' O ' ' A' ' 25' ' ' ARG . 4.1 t -140.67 151.28 44.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.641 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.15 51.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.95 0.405 . . . . 0.0 110.604 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.763 ' HE2' ' C ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.842 0.353 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.655 ' O ' ' C ' ' A' ' 3' ' ' GLN . 0.5 OUTLIER -114.68 162.5 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.083 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.655 ' C ' ' O ' ' A' ' 2' ' ' VAL . 28.7 mm100 -8.37 88.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.513 ' HB3' ' H ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -146.35 -99.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.088 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.513 ' H ' ' HB3' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -90.37 136.27 28.63 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.259 -179.669 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.564 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 46.3 Cg_exo -55.67 138.15 80.27 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.746 2.297 . . . . 0.0 111.969 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -26.19 133.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.734 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.642 ' OD1' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -52.06 155.31 1.91 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.93 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.882 ' O ' HG13 ' A' ' 12' ' ' ILE . 27.3 t -77.8 -51.53 10.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.384 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -27.27 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.468 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.642 ' HB2' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -73.02 -8.8 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.388 . . . . 0.0 110.721 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.882 HG13 ' O ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -111.93 4.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.148 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.65 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 14.8 t30 80.78 32.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.598 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -110.93 172.41 15.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.031 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.9 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 9.7 p -107.5 151.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.79 97.26 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.98 0.419 . . . . 0.0 111.201 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.767 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 1.7 ttm180 -110.79 -161.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.825 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -86.26 142.19 28.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.774 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.854 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.44 4.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.223 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -134.34 23.01 3.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.648 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.559 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -43.09 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.766 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -177.05 -60.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.343 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.766 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -133.87 37.64 3.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.944 -179.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.609 ' O ' ' C ' ' A' ' 25' ' ' ARG . 3.6 t -110.91 70.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 1.044 ' HG3' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -18.47 130.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.792 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.896 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -100.51 146.12 27.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.963 ' HB ' ' HB3' ' A' ' 39' ' ' CYS . 11.7 mt -100.84 81.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.03 -67.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.499 . . . . 0.0 110.793 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 1.9 mt -34.37 -45.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.861 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.768 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -98.7 142.77 29.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.602 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 2.0 m-20 -101.37 178.61 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.815 ' HB2' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -99.49 -144.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.057 179.371 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.45 ' HD1' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -152.0 -7.93 0.21 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.238 0.542 . . . . 0.0 110.507 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 23.9 m-80 -89.34 -19.6 25.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.114 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 9.0 t0 89.32 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.432 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.561 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -112.04 3.92 27.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.281 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.815 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 12.6 mt-30 -117.57 150.64 38.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.854 ' CG ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.21 -179.84 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.633 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.963 ' HB3' ' HB ' ' A' ' 27' ' ' ILE . 3.1 t -89.88 153.53 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.449 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.9 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.5 t -141.35 150.2 42.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.283 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.044 ' HB2' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -68.87 65.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 110.782 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.758 ' HE2' ' CA ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.503 ' CG ' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.833 0.349 . . . . 0.0 111.179 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 t -109.44 146.84 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 98.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.77 60.72 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 144.48 50.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.823 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.6 ' C ' ' HG3' ' A' ' 7' ' ' ARG . 72.6 Cg_endo -75.53 56.46 4.57 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.77 2.313 . . . . 0.0 112.308 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.6 ' HG3' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 58.52 155.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 1.074 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.3 -158.9 0.67 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.459 179.688 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.674 ' O ' HG13 ' A' ' 12' ' ' ILE . 22.9 t -102.96 -42.63 5.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.771 179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -29.72 70.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.286 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -15.98 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.768 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.863 HD13 ' HB2' ' A' ' 30' ' ' ALA . 6.8 pt -108.06 -1.31 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.146 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 2.1 t30 80.77 37.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.008 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.903 ' O ' ' HE3' ' A' ' 42' ' ' LYS . . . -112.91 -162.49 15.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.127 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.975 ' HB ' ' HD2' ' A' ' 42' ' ' LYS . 14.7 p -124.9 160.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.489 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -121.75 104.52 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.923 ' NH2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -112.62 -155.24 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.749 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.674 ' H ' ' CG ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -90.24 137.93 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.873 ' HA ' ' CG ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -59.25 -6.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.677 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.603 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.3 OUTLIER -124.41 25.75 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.603 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.9 m -43.07 -109.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.774 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.821 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -176.34 -65.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.534 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.821 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -131.91 38.57 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.975 -179.315 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.624 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 t -111.42 70.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.848 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -16.73 130.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.926 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -100.73 148.24 25.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.014 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 9.4 mt -100.65 85.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.26 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -42.61 -71.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.154 0.502 . . . . 0.0 110.94 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' PHE . 2.0 mt -31.08 -41.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.877 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.074 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -98.95 165.26 11.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.472 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' OD2' ' HG2' ' A' ' 6' ' ' PRO . 10.8 m-20 -127.27 -179.25 4.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.529 ' C ' ' OD2' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -99.2 -171.29 2.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.847 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -126.35 -5.14 6.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.356 0.598 . . . . 0.0 110.715 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' HB3' ' H ' ' A' ' 35' ' ' ASP . 23.8 m-80 -88.88 -122.0 0.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.777 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -143.25 -44.71 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.18 21.7 10.77 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.224 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.725 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -111.4 155.39 23.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 111.039 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.926 ' HE2' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -128.99 -178.8 4.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.701 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.014 ' SG ' ' HB ' ' A' ' 27' ' ' ILE . 44.0 t -89.99 149.17 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.888 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 41.3 t -140.51 153.52 46.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.728 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -72.6 51.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.798 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.975 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.767 0.318 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -132.36 40.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER 29.15 34.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.617 ' N ' ' O ' ' A' ' 2' ' ' VAL . 0.3 OUTLIER -107.36 -45.73 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.684 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.699 HH21 ' HD1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -132.93 83.64 51.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.693 179.761 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.546 ' O ' ' O ' ' A' ' 5' ' ' ARG . 72.4 Cg_exo -48.11 -118.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.706 2.271 . . . . 0.0 112.185 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.879 ' NH2' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -109.34 134.04 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.797 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -91.94 -143.22 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.636 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.063 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 40.5 t -115.69 -43.92 2.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.63 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.08 -26.86 63.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.514 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.52 -3.08 28.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.132 0.491 . . . . 0.0 110.577 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.899 HG12 ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -120.96 1.46 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.889 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.615 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 6.4 t-20 80.39 44.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.583 ' C ' ' HE2' ' A' ' 42' ' ' LYS . . . -125.89 174.27 17.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.448 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.976 HG13 ' HB3' ' A' ' 40' ' ' CYS . 7.6 p -104.98 160.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.557 ' N ' HG22 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -121.19 103.07 8.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.68 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.87 ' O ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -116.28 -153.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.492 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -90.16 139.22 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 1.05 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -62.54 1.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.758 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.595 ' O ' ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -133.56 19.97 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.471 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.595 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.5 OUTLIER -34.22 -102.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.827 HG12 ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -179.62 -65.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.55 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.827 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -129.3 27.42 5.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.904 -179.278 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' O ' ' C ' ' A' ' 25' ' ' ARG . 2.3 t -102.76 76.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.937 ' HB2' ' HD2' ' A' ' 41' ' ' ARG . 1.2 mtt180 -24.82 134.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.769 ' HA ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -102.31 149.63 24.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.979 HD12 ' SG ' ' A' ' 39' ' ' CYS . 48.7 mt -100.43 96.74 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.71 28.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.879 HD23 ' NH2' ' A' ' 7' ' ' ARG . 3.4 mt -137.84 -33.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.965 0.412 . . . . 0.0 111.516 -178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.063 ' HB1' ' HA ' ' A' ' 9' ' ' CYS . . . -99.3 136.18 39.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.373 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.722 ' O ' ' N ' ' A' ' 9' ' ' CYS . 95.4 m-20 -97.15 167.69 10.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.551 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 0.8 OUTLIER -99.6 -149.75 0.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.279 179.722 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.699 ' HD1' HH21 ' A' ' 5' ' ' ARG . 0.1 OUTLIER -146.77 -8.87 0.47 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.332 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.862 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 26.9 m-80 -89.66 -20.44 23.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.951 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.862 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.6 OUTLIER 86.42 -28.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 -179.698 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -109.94 -1.92 30.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.272 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.87 ' HB3' ' O ' ' A' ' 17' ' ' ARG . 4.2 mt-30 -109.29 161.14 15.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.832 0.349 . . . . 0.0 110.693 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 1.05 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -126.05 178.97 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.979 ' SG ' HD12 ' A' ' 27' ' ' ILE . 6.2 t -89.87 151.12 21.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.976 ' HB3' HG13 ' A' ' 15' ' ' VAL . 35.3 t -140.08 157.2 46.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.937 ' HD2' ' HB2' ' A' ' 25' ' ' ARG . 9.4 mtt-85 -74.72 51.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.915 ' HD2' ' HB ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.931 -179.919 . . . . . . . . 2 2 . 1 stop_ save_